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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(4-butylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(4-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(4-butylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(4-butylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(4-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H25BrClN3O2S2 MolecularWeight: 530.9291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H25BrClN3O2S2/c1-2-3-4-16-5-8-18(9-6-16)30(27,28)26-13-11-25(12-14-26)21(29)24-20-10-7-17(22)15-19(20)23/h5-10,15H,2-4,11-14H2,1H3,(H,24,29)