N-[2-(4-chlorophenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C24H27ClN4OS MolecularWeight: 455.01538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4OS/c25-19-11-7-16(8-12-19)13-14-26-23(30)18-9-5-17(6-10-18)15-27-22-20-3-1-2-4-21(20)28-24(31)29-22/h1-4,7-8,11-12,17-18H,5-6,9-10,13-15H2,(H,26,30)(H2,27,28,29,31)