3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-N-(3-cyano-2-thienyl)propionamide Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H19BrN4O2S/c1-12-9-14(19)3-4-15(12)21-17(25)11-23(2)7-5-16(24)22-18-13(10-20)6-8-26-18/h3-4,6,8-9H,5,7,11H2,1-2H3,(H,21,25)(H,22,24)