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

Systemtic Name: N-[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-ethoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-(dimethylamino)anilino]-2-oxo-ethyl]-4-ethoxy-1-(sulfanylmethyl)cyclohexanecarboxamide CAS Name: N-[(2S)-1-[4-(dimethylamino)anilino]-1-oxo-3-phenylpropan-2-yl]-4-ethoxy-1-(mercaptomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(2S)-1-[4-(dimethylamino)anilino]-1-oxo-3-phenylpropan-2-yl]-4-ethoxy-1-(sulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(dimethylamino)anilino]-2-keto-ethyl]-4-ethoxy-1-(mercaptomethyl)cyclohexanecarboxamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3S/c1-4-33-23-14-16-27(19-34,17-15-23)26(32)29-24(18-20-8-6-5-7-9-20)25(31)28-21-10-12-22(13-11-21)30(2)3/h5-13,23-24,34H,4,14-19H2,1-3H3,(H,28,31)(H,29,32)/t23?,24-,27?/m0/s1