2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

InChI

InChI=1S/C27H32N4O2S/c1-20(22-11-13-23(14-12-22)31-16-15-28-19-31)30-27(33)24-9-5-6-10-25(24)34-18-26(32)29-17-21-7-3-2-4-8-21/h5-6,9-16,19-21H,2-4,7-8,17-18H2,1H3,(H,29,32)(H,30,33)/t20-/m1/s1