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

Systemtic Name: N-[2-[[(1S)-1-cyano-2-thiophen-3-yl-ethyl]carbamoyl]cyclohexyl]-4-ethyl-benzamide Openeye Name: N-[2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]-4-ethyl-benzamide CAS Name: N-[2-[[[(1S)-1-cyano-2-(3-thiophenyl)ethyl]amino]-oxomethyl]cyclohexyl]-4-ethylbenzamide IUPAC Name: N-[2-[[(1S)-1-cyano-2-thiophen-3-ylethyl]carbamoyl]cyclohexyl]-4-ethylbenzamide Traditional Name: N-[2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]-4-ethyl-benzamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2CCCCC2C(=O)NC(CC3=CSC=C3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2CCCCC2C(=O)N[C@@H](CC3=CSC=C3)C#N

InChI

InChI=1S/C23H27N3O2S/c1-2-16-7-9-18(10-8-16)22(27)26-21-6-4-3-5-20(21)23(28)25-19(14-24)13-17-11-12-29-15-17/h7-12,15,19-21H,2-6,13H2,1H3,(H,25,28)(H,26,27)/t19-,20?,21?/m0/s1