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

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C21H18Cl2N4O3S2 MolecularWeight: 509.42862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18Cl2N4O3S2/c22-14-3-1-13(2-4-14)12-24-21(31)26-9-7-25(8-10-26)20(28)19-18(23)16-6-5-15(27(29)30)11-17(16)32-19/h1-6,11H,7-10,12H2,(H,24,31)