(1R)-N-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-2-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]cyclohexane-1-carboxamide

Systemtic Name: (1R)-N-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-2-[4-(5-methylthiophen-2-yl)carbonylpiperazin-1-yl]cyclohexane-1-carboxamide Openeye Name: (1R)-N-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]cyclohexanecarboxamide CAS Name: (1R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[(5-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-cyclohexanecarboxamide IUPAC Name: (1R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]cyclohexane-1-carboxamide Traditional Name: (1R)-N-[(1S)-2-amino-2-keto-1-phenyl-ethyl]-2-[4-(5-methylthiophene-2-carbonyl)piperazino]cyclohexanecarboxamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CCN(CC2)C3CCCCC3C(=O)NC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCN(CC2)C3CCCC[C@H]3C(=O)N[C@@H](C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H32N4O3S/c1-17-11-12-21(33-17)25(32)29-15-13-28(14-16-29)20-10-6-5-9-19(20)24(31)27-22(23(26)30)18-7-3-2-4-8-18/h2-4,7-8,11-12,19-20,22H,5-6,9-10,13-16H2,1H3,(H2,26,30)(H,27,31)/t19-,20?,22+/m1/s1