N-(4-bromanyl-2-chloranyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H16BrCl2N3O2S2 MolecularWeight: 509.26784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16BrCl2N3O2S2/c18-12-1-6-16(15(20)11-12)21-17(26)22-7-9-23(10-8-22)27(24,25)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2,(H,21,26)