4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2-chlorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(2-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2-chlorophenyl)piperazine-1-carbothioamide Formula: C20H16Cl2N4O3S2 MolecularWeight: 495.40204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC=CC=C4Cl

InChI

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