N-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(5-isopropyl-4-methoxy-2-methyl-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(5-isopropyl-4-methoxy-2-methyl-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(C)C)OC

InChI

InChI=1S/C21H21N3O4S/c1-12(2)17-9-15(13(3)7-18(17)28-4)11-22-23-21(25)20-10-14-8-16(24(26)27)5-6-19(14)29-20/h5-12H,1-4H3,(H,23,25)