N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]cyclohex-3-ene-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]cyclohex-3-ene-1-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-cyclohex-3-enecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohex-3-ene-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]cyclohex-3-ene-1-carboxamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCC=CC3

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCC=CC3

InChI

InChI=1S/C18H23N3OS/c1-23-12-11-16(21-18(22)13-7-3-2-4-8-13)17-19-14-9-5-6-10-15(14)20-17/h2-3,5-6,9-10,13,16H,4,7-8,11-12H2,1H3,(H,19,20)(H,21,22)/t13?,16-/m0/s1