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

Systemtic Name: N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-N-propyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-methylanilino)-2-oxo-ethyl]-5-nitro-N-propyl-benzothiophene-2-carboxamide CAS Name: N-[2-(2-methylanilino)-2-oxoethyl]-5-nitro-N-propyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-methylanilino)-2-oxoethyl]-5-nitro-N-propyl-1-benzothiophene-2-carboxamide Traditional Name: N-[2-keto-2-(o-toluidino)ethyl]-5-nitro-N-propyl-benzothiophene-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-3-10-23(13-20(25)22-17-7-5-4-6-14(17)2)21(26)19-12-15-11-16(24(27)28)8-9-18(15)29-19/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,25)