3-cyclohexyl-N-(3-methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(3-methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(m-tolyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclohexyl-N-(3-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-4-keto-N-(m-tolyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4CCCCC4

InChI

InChI=1S/C22H23N3O2S/c1-14-6-5-7-16(12-14)23-20(26)15-10-11-18-19(13-15)24-22(28)25(21(18)27)17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9H2,1H3,(H,23,26)(H,24,28)