3-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-chlorobenzyl)-N-[2-(1H-indol-3-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54)NC2=S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54)NC2=S)Cl

InChI

InChI=1S/C26H21ClN4O2S/c27-21-7-3-1-5-18(21)15-31-25(33)20-10-9-16(13-23(20)30-26(31)34)24(32)28-12-11-17-14-29-22-8-4-2-6-19(17)22/h1-10,13-14,29H,11-12,15H2,(H,28,32)(H,30,34)