N-[2-[[(1S)-1-cyano-2-thiophen-3-yl-ethyl]carbamoyl]cyclohexyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[[(1S)-1-cyano-2-thiophen-3-yl-ethyl]carbamoyl]cyclohexyl]-4-methoxy-benzamide Openeye Name: N-[2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]-4-methoxy-benzamide CAS Name: N-[2-[[[(1S)-1-cyano-2-(3-thiophenyl)ethyl]amino]-oxomethyl]cyclohexyl]-4-methoxybenzamide IUPAC Name: N-[2-[[(1S)-1-cyano-2-thiophen-3-ylethyl]carbamoyl]cyclohexyl]-4-methoxybenzamide Traditional Name: N-[2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]-4-methoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2CCCCC2C(=O)NC(CC3=CSC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2CCCCC2C(=O)N[C@@H](CC3=CSC=C3)C#N

InChI

InChI=1S/C22H25N3O3S/c1-28-18-8-6-16(7-9-18)21(26)25-20-5-3-2-4-19(20)22(27)24-17(13-23)12-15-10-11-29-14-15/h6-11,14,17,19-20H,2-5,12H2,1H3,(H,24,27)(H,25,26)/t17-,19?,20?/m0/s1