N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-1-o-toluoyl-isonipecotamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C22H23N3O2S/c1-15-7-3-4-8-17(15)21(27)25-13-11-16(12-14-25)20(26)23-22-24(2)18-9-5-6-10-19(18)28-22/h3-10,16H,11-14H2,1-2H3