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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(3-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(3-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=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC(=CC=C4)Cl

InChI

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