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

Systemtic Name: N-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26N4O3S/c1-16-12-19(17(2)29(16)21-8-6-20(7-9-21)26(3,4)5)15-27-28-25(31)24-14-18-13-22(30(32)33)10-11-23(18)34-24/h6-15H,1-5H3,(H,28,31)