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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-2-29-17-7-8-18-19(13-17)30-22(24-18)25-20(27)14-9-11-26(12-10-14)21(28)15-3-5-16(23)6-4-15/h3-8,13-14H,2,9-12H2,1H3,(H,24,25,27)