1-(4-bromophenyl)carbonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-13-2-7-17-18(12-13)28-21(23-17)24-19(26)14-8-10-25(11-9-14)20(27)15-3-5-16(22)6-4-15/h2-7,12,14H,8-11H2,1H3,(H,23,24,26)