4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]cyclohexane-1-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(phenylmethylthio)ethyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C25H29N3O2S2 MolecularWeight: 467.64666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S2/c29-23(26-14-15-32-17-19-6-2-1-3-7-19)20-12-10-18(11-13-20)16-28-24(30)21-8-4-5-9-22(21)27-25(28)31/h1-9,18,20H,10-17H2,(H,26,29)(H,27,31)