3,6-bis(chloranyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C21H18Cl2N4O4S2 MolecularWeight: 525.42802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18Cl2N4O4S2/c1-31-13-3-5-15(16(11-13)27(29)30)25-6-8-26(9-7-25)21(32)24-20(28)19-18(23)14-4-2-12(22)10-17(14)33-19/h2-5,10-11H,6-9H2,1H3,(H,24,28,32)