(1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide Openeye Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(p-tolyl)cyclohex-3-ene-1-carboxamide CAS Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)-1-cyclohex-3-enecarboxamide IUPAC Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide Traditional Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(p-tolyl)cyclohex-3-ene-1-carboxamide Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H]2CC=CC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2OS/c1-14-10-12-15(13-11-14)22-20(24)16-6-2-3-7-17(16)21-23-18-8-4-5-9-19(18)25-21/h2-5,8-13,16-17H,6-7H2,1H3,(H,22,24)/t16-,17+/m0/s1