N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)isonipecotamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O3S/c1-13(28)24-17-6-7-18-19(12-17)31-22(25-18)26-20(29)14-8-10-27(11-9-14)21(30)15-2-4-16(23)5-3-15/h2-7,12,14H,8-11H2,1H3,(H,24,28)(H,25,26,29)