N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-o-toluoyl-isonipecotamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-13-4-2-3-5-16(13)20(27)25-10-8-14(9-11-25)19(26)24-21-23-17-7-6-15(22)12-18(17)28-21/h2-7,12,14H,8-11H2,1H3,(H,23,24,26)