N-[2-(cyclopropylcarbamoyl)phenyl]-3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclopropylcarbamoyl)phenyl]-3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclopropylcarbamoyl)phenyl]-3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-[(cyclopropylamino)-oxomethyl]phenyl]-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(cyclopropylcarbamoyl)phenyl]-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(cyclopropylcarbamoyl)phenyl]-3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)NC5CC5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)NC5CC5)NC2=S)C

InChI

InChI=1S/C27H24N4O3S/c1-15-6-5-9-23(16(15)2)31-26(34)20-13-10-17(14-22(20)30-27(31)35)24(32)29-21-8-4-3-7-19(21)25(33)28-18-11-12-18/h3-10,13-14,18H,11-12H2,1-2H3,(H,28,33)(H,29,32)(H,30,35)