N-[[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-[2-keto-2-(p-toluidino)ethoxy]benzylidene]amino]-5-nitro-benzothiophene-2-carboxamide Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5S/c1-16-2-6-19(7-3-16)27-24(30)15-34-21-9-4-17(5-10-21)14-26-28-25(31)23-13-18-12-20(29(32)33)8-11-22(18)35-23/h2-14H,15H2,1H3,(H,27,30)(H,28,31)