N-[[3-bromanyl-4-(diethylamino)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[3-bromanyl-4-(diethylamino)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-bromo-4-(diethylamino)phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[3-bromo-4-(diethylamino)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-bromo-4-(diethylamino)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[3-bromo-4-(diethylamino)benzylidene]amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3S/c1-3-24(4-2)17-7-5-13(9-16(17)21)12-22-23-20(26)19-11-14-10-15(25(27)28)6-8-18(14)29-19/h5-12H,3-4H2,1-2H3,(H,23,26)