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

Systemtic Name: N-[(1S,2R)-2-[[(1S)-1-cyano-2-thiophen-3-yl-ethyl]carbamoyl]cyclohexyl]-4-propan-2-yl-benzamide Openeye Name: N-[(1S,2R)-2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]-4-isopropyl-benzamide CAS Name: N-[(1S,2R)-2-[[[(1S)-1-cyano-2-(3-thiophenyl)ethyl]amino]-oxomethyl]cyclohexyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(1S,2R)-2-[[(1S)-1-cyano-2-thiophen-3-ylethyl]carbamoyl]cyclohexyl]-4-propan-2-ylbenzamide Traditional Name: N-[(1S,2R)-2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]-4-isopropyl-benzamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N[C@H]2CCCC[C@H]2C(=O)N[C@@H](CC3=CSC=C3)C#N

InChI

InChI=1S/C24H29N3O2S/c1-16(2)18-7-9-19(10-8-18)23(28)27-22-6-4-3-5-21(22)24(29)26-20(14-25)13-17-11-12-30-15-17/h7-12,15-16,20-22H,3-6,13H2,1-2H3,(H,26,29)(H,27,28)/t20-,21+,22-/m0/s1