2-[[4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[[4-[(4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]benzoyl]amino]ethyl]ammonium Formula: C30H32N5O5S+ MolecularWeight: 574.67058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](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

CC[NH+](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)/p+1