N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S2/c1-25-12-4-5-13(14(11-12)21(23)24)19-6-8-20(9-7-19)17(26)18-16(22)15-3-2-10-27-15/h2-5,10-11H,6-9H2,1H3,(H,18,22,26)