N-(2-methylcyclohexyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-methylcyclohexyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-methylcyclohexyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-methylcyclohexyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-methylcyclohexyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-methylcyclohexyl)-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-16-7-5-6-10-20(16)25-22(28)18-11-12-19-21(15-18)26-24(30)27(23(19)29)14-13-17-8-3-2-4-9-17/h2-4,8-9,11-12,15-16,20H,5-7,10,13-14H2,1H3,(H,25,28)(H,26,30)