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

Systemtic Name: N-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H20N4O3S/c1-11(2)22-12(3)7-15(13(22)4)10-20-21-19(24)18-9-14-8-16(23(25)26)5-6-17(14)27-18/h5-11H,1-4H3,(H,21,24)