N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-12-5-4-6-13(2)19(12)21-18(24)11-22(3)20(25)17-10-14-9-15(23(26)27)7-8-16(14)28-17/h4-10H,11H2,1-3H3,(H,21,24)