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3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name:3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide
Openeye Name:3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name:3-(1,3-benzodioxol-5-ylmethyl)-N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC Name:3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Traditional Name:N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide
Formula: C30H31N5O5S
MolecularWeight: 573.66264
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5


Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5


InChI

InChI=1S/C30H31N5O5S/c1-3-34(4-2)14-13-31-27(36)20-6-9-22(10-7-20)32-28(37)21-8-11-23-24(16-21)33-30(41)35(29(23)38)17-19-5-12-25-26(15-19)40-18-39-25/h5-12,15-16H,3-4,13-14,17-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,41)


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