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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-[ethyl(phenyl)amino]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(N-ethylanilino)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(N-ethylanilino)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-[3-(N-ethylanilino)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(N-ethylanilino)propyl]-4-keto-3-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4S/c1-2-31(21-7-4-3-5-8-21)14-6-13-29-26(33)20-10-11-22-23(16-20)30-28(37)32(27(22)34)17-19-9-12-24-25(15-19)36-18-35-24/h3-5,7-12,15-16H,2,6,13-14,17-18H2,1H3,(H,29,33)(H,30,37)