3-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[[2-(2-bromoanilino)-2-keto-ethyl]-methyl-amino]-N-(3-cyano-2-thienyl)propionamide Formula: C17H17BrN4O2S MolecularWeight: 421.31148

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C#N)CC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C#N)CC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C17H17BrN4O2S/c1-22(11-16(24)20-14-5-3-2-4-13(14)18)8-6-15(23)21-17-12(10-19)7-9-25-17/h2-5,7,9H,6,8,11H2,1H3,(H,20,24)(H,21,23)