(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]acrylamide Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N2OS/c1-12-6-2-3-7-13(12)18-16(20)10-11-17-19-14-8-4-5-9-15(14)21-17/h4-5,8-13H,2-3,6-7H2,1H3,(H,18,20)/b11-10+/t12-,13+/m1/s1