6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(phenylmethyl)benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: 6-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(phenylmethyl)benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-benzyl-6-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: 6-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-N-(phenylmethyl)-3-benzimidazolo[1,2-c]quinazolinecarboxamide IUPAC Name: N-benzyl-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-benzyl-6-[[2-keto-2-(p-phenetidino)ethyl]thio]benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C32H27N5O3S MolecularWeight: 561.65348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)C5=NC6=CC=CC=C6N52

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)C5=NC6=CC=CC=C6N52

InChI

InChI=1S/C32H27N5O3S/c1-2-40-24-15-13-23(14-16-24)34-29(38)20-41-32-36-27-18-22(31(39)33-19-21-8-4-3-5-9-21)12-17-25(27)30-35-26-10-6-7-11-28(26)37(30)32/h3-18H,2,19-20H2,1H3,(H,33,39)(H,34,38)