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

Systemtic Name: N-[3-(cyclopropylcarbonylamino)phenyl]-3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(cyclopropanecarbonylamino)phenyl]-3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(cyclopropanecarbonylamino)phenyl]-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)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=C4)NC(=O)C5CC5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C5CC5)NC2=S)C

InChI

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