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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-16-7-6-10-21(17(16)2)26-23(29)19-11-12-20-22(15-19)27-25(31)28(24(20)30)14-13-18-8-4-3-5-9-18/h3-5,8-9,11-12,15-17,21H,6-7,10,13-14H2,1-2H3,(H,26,29)(H,27,31)