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

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C20H16Cl2N4O3S2 MolecularWeight: 495.40204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N4O3S2/c21-12-1-6-15-16(11-12)31-18(17(15)22)19(27)23-20(30)25-9-7-24(8-10-25)13-2-4-14(5-3-13)26(28)29/h1-6,11H,7-10H2,(H,23,27,30)