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

Systemtic Name: 4-bromanyl-N-[(1S,2R)-2-[[(1S)-1-cyano-2-thiophen-3-yl-ethyl]carbamoyl]cyclohexyl]benzamide Openeye Name: 4-bromo-N-[(1S,2R)-2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]benzamide CAS Name: 4-bromo-N-[(1S,2R)-2-[[[(1S)-1-cyano-2-(3-thiophenyl)ethyl]amino]-oxomethyl]cyclohexyl]benzamide IUPAC Name: 4-bromo-N-[(1S,2R)-2-[[(1S)-1-cyano-2-thiophen-3-ylethyl]carbamoyl]cyclohexyl]benzamide Traditional Name: 4-bromo-N-[(1S,2R)-2-[[(1S)-1-cyano-2-(3-thienyl)ethyl]carbamoyl]cyclohexyl]benzamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CSC=C2)C#N)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N[C@@H](CC2=CSC=C2)C#N)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2S/c22-16-7-5-15(6-8-16)20(26)25-19-4-2-1-3-18(19)21(27)24-17(12-23)11-14-9-10-28-13-14/h5-10,13,17-19H,1-4,11H2,(H,24,27)(H,25,26)/t17-,18+,19-/m0/s1