N-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3S/c1-15-10-19(16(2)26(15)14-17-6-4-3-5-7-17)13-24-25-23(28)22-12-18-11-20(27(29)30)8-9-21(18)31-22/h3-13H,14H2,1-2H3,(H,25,28)