2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-3-[(phenylmethyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-3-[(phenylmethyl)amino]cyclohex-2-en-1-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(benzylamino)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-3-[(phenylmethyl)amino]-1-cyclohex-2-enone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(benzylamino)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(benzylamino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=NC3=CC=CC=C3S2)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=NC3=CC=CC=C3S2)NCC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N2OS/c1-22(2)12-17(23-14-15-8-4-3-5-9-15)20(18(25)13-22)21-24-16-10-6-7-11-19(16)26-21/h3-11,23H,12-14H2,1-2H3