2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[1-(4-nitrophenyl)pyrrol-2-yl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-(4-nitrophenyl)-2-pyrrolyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[1-(4-nitrophenyl)pyrrol-2-yl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H18N4O3S/c21-19(25)18-16-5-1-2-6-17(16)28-20(18)22-12-15-4-3-11-23(15)13-7-9-14(10-8-13)24(26)27/h3-4,7-12H,1-2,5-6H2,(H2,21,25)