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

Systemtic Name: N-(4-bromophenyl)-4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbothioamide Formula: C20H16BrClN4O3S2 MolecularWeight: 539.85304

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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)NC4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN4O3S2/c21-12-1-3-13(4-2-12)23-20(30)25-9-7-24(8-10-25)19(27)18-17(22)15-6-5-14(26(28)29)11-16(15)31-18/h1-6,11H,7-10H2,(H,23,30)