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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H22BrN3O3S/c1-13-11-15(21)4-5-16(13)23-18(25)12-22-19(26)14-6-8-24(9-7-14)20(27)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,26)(H,23,25)