4-bromanyl-N-[2-[[(1R)-1-cyano-2-ethylsulfanyl-ethyl]carbamoyl]cyclohexyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[[(1R)-1-cyano-2-ethylsulfanyl-ethyl]carbamoyl]cyclohexyl]benzamide Openeye Name: 4-bromo-N-[2-[[(1R)-1-cyano-2-ethylsulfanyl-ethyl]carbamoyl]cyclohexyl]benzamide CAS Name: 4-bromo-N-[2-[[[(1R)-1-cyano-2-(ethylthio)ethyl]amino]-oxomethyl]cyclohexyl]benzamide IUPAC Name: 4-bromo-N-[2-[[(1R)-1-cyano-2-ethylsulfanylethyl]carbamoyl]cyclohexyl]benzamide Traditional Name: 4-bromo-N-[2-[[(1R)-1-cyano-2-(ethylthio)ethyl]carbamoyl]cyclohexyl]benzamide Formula: C19H24BrN3O2S MolecularWeight: 438.38176

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C#N)NC(=O)C1CCCCC1NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCSC[C@@H](C#N)NC(=O)C1CCCCC1NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H24BrN3O2S/c1-2-26-12-15(11-21)22-19(25)16-5-3-4-6-17(16)23-18(24)13-7-9-14(20)10-8-13/h7-10,15-17H,2-6,12H2,1H3,(H,22,25)(H,23,24)/t15-,16?,17?/m1/s1