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

Systemtic Name: N-[(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(1-tert-butyl-2,5-dimethyl-3-pyrrolyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-tert-butyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)(C)C)C)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)(C)C)C)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-12-8-15(13(2)23(12)20(3,4)5)11-21-22-19(25)18-10-14-9-16(24(26)27)6-7-17(14)28-18/h6-11H,1-5H3,(H,22,25)