N-[3-[(E)-N-[(3-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[3-[(E)-N-[(3-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[3-[(E)-N-[(3-bromobenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[3-[(1E)-1-[[(3-bromophenyl)-oxomethyl]hydrazinylidene]ethyl]phenyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[3-[(E)-N-[(3-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[3-[(E)-N-[(3-bromobenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=CC=CC(=C2)C(=NNC(=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=CC=CC(=C2)/C(=N/NC(=O)C3=CC(=CC=C3)Br)/C

InChI

InChI=1S/C21H18BrN3O2S/c1-13-9-10-19(28-13)21(27)23-18-8-4-5-15(12-18)14(2)24-25-20(26)16-6-3-7-17(22)11-16/h3-12H,1-2H3,(H,23,27)(H,25,26)/b24-14+