N-(2,3-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-4-keto-3-p-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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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)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O3S/c1-15-5-4-6-21(16(15)2)26-23(29)18-9-12-20-22(13-18)27-25(32)28(24(20)30)14-17-7-10-19(31-3)11-8-17/h7-13,15-16,21H,4-6,14H2,1-3H3,(H,26,29)(H,27,32)