3-cyclohexyl-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3-cyclohexyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-4-oxo-N-[2-(phenylmethylthio)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-cyclohexyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-3-cyclohexyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=S

InChI

InChI=1S/C24H27N3O2S2/c28-22(25-13-14-31-16-17-7-3-1-4-8-17)18-11-12-20-21(15-18)26-24(30)27(23(20)29)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H,25,28)(H,26,30)