N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-(2-thenoyl)nipecotamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H22BrN3O3S/c1-13-10-15(21)6-7-16(13)23-18(25)11-22-19(26)14-4-2-8-24(12-14)20(27)17-5-3-9-28-17/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,22,26)(H,23,25)