3-chloranyl-N-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]benzothiophene-2-carboxamide Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O4S/c1-10-6-7-11(8-13(10)22(25)26)21-15(23)9-20-18(24)17-16(19)12-4-2-3-5-14(12)27-17/h2-8H,9H2,1H3,(H,20,24)(H,21,23)