N-[5-(4-aminocarbonylpiperidin-1-yl)carbonyl-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[5-(4-aminocarbonylpiperidin-1-yl)carbonyl-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[5-(4-carbamoylpiperidine-1-carbonyl)-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[5-[(4-carbamoyl-1-piperidinyl)-oxomethyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[5-(4-carbamoylpiperidine-1-carbonyl)-2-methylphenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[5-(4-carbamoylpiperidine-1-carbonyl)-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)NC(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)NC(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O3S/c1-13-6-7-15(22(29)26-10-8-14(9-11-26)20(23)27)12-17(13)24-21(28)19-16-4-2-3-5-18(16)30-25-19/h2-7,12,14H,8-11H2,1H3,(H2,23,27)(H,24,28)