N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(SC(=C2C)C)N3C=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=C(SC(=C2C)C)N3C=CC=C3

InChI

InChI=1S/C20H20BrN3O2S/c1-12-10-15(21)6-7-16(12)23-17(25)11-22-19(26)18-13(2)14(3)27-20(18)24-8-4-5-9-24/h4-10H,11H2,1-3H3,(H,22,26)(H,23,25)