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

Systemtic Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(p-tolylmethyl)cyclohex-3-ene-1-carboxamide CAS Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S,6R)-6-(1,3-benzothiazol-2-yl)-N-(4-methylbenzyl)cyclohex-3-ene-1-carboxamide Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2OS/c1-15-10-12-16(13-11-15)14-23-21(25)17-6-2-3-7-18(17)22-24-19-8-4-5-9-20(19)26-22/h2-5,8-13,17-18H,6-7,14H2,1H3,(H,23,25)/t17-,18+/m0/s1