N-[(4-butan-2-yloxy-3-chloranyl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-butan-2-yloxy-3-chloranyl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-chloro-4-sec-butoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4-butan-2-yloxy-3-chlorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-butan-2-yloxy-3-chlorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-chloro-4-sec-butoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-3-12(2)28-17-6-4-13(8-16(17)21)11-22-23-20(25)19-10-14-9-15(24(26)27)5-7-18(14)29-19/h4-12H,3H2,1-2H3,(H,23,25)