N-[[1-(4-aminocarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[1-(4-aminocarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(4-carbamoylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(4-carbamoylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(4-carbamoylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(4-carbamoylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)N)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)N)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O4S/c1-13-9-17(14(2)27(13)18-5-3-15(4-6-18)22(24)29)12-25-26-23(30)21-11-16-10-19(28(31)32)7-8-20(16)33-21/h3-12H,1-2H3,(H2,24,29)(H,26,30)