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

Systemtic Name: 3-acetamido-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-(2-thienyl)propionamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CC(C2=CC=CS2)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CC(C2=CC=CS2)NC(=O)C

InChI

InChI=1S/C18H20BrN3O3S/c1-11-8-13(19)5-6-14(11)22-18(25)10-20-17(24)9-15(21-12(2)23)16-4-3-7-26-16/h3-8,15H,9-10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)