N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-12-3-5-14(6-4-12)20-18(23)11-21(2)19(24)17-10-13-9-15(22(25)26)7-8-16(13)27-17/h3-10H,11H2,1-2H3,(H,20,23)