N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-o-toluoyl-isonipecotamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H25N3O2S/c1-18-6-2-3-7-22(18)27(32)30-16-14-19(15-17-30)25(31)28-21-12-10-20(11-13-21)26-29-23-8-4-5-9-24(23)33-26/h2-13,19H,14-17H2,1H3,(H,28,31)