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

Systemtic Name: N-[[4-(diethylamino)-2-methoxy-phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(diethylamino)-2-methoxy-phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[4-(diethylamino)-2-methoxy-benzylidene]amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O4S/c1-4-24(5-2)16-7-6-14(18(12-16)29-3)13-22-23-21(26)20-11-15-10-17(25(27)28)8-9-19(15)30-20/h6-13H,4-5H2,1-3H3,(H,23,26)