4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,6-dichloro-1-benzothiophene-2-carbonyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,6-dichlorobenzothiophene-2-carbonyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C20H16Cl2N4O3S2 MolecularWeight: 495.40204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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