N-[(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-ethoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-ethoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(4-chloroanilino)-2-oxo-ethyl]-4-ethoxy-1-(sulfanylmethyl)cyclohexanecarboxamide CAS Name: N-[(2S)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-ethoxy-1-(mercaptomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-ethoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(4-chloroanilino)-2-keto-ethyl]-4-ethoxy-1-(mercaptomethyl)cyclohexanecarboxamide Formula: C25H31ClN2O3S MolecularWeight: 475.04324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1CCC(CC1)(CS)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H31ClN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-6-4-3-5-7-18)23(29)27-20-10-8-19(26)9-11-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21?,22-,25?/m0/s1