4-(3-bromophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Formula: C19H22BrN3O2S2 MolecularWeight: 468.43088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H22BrN3O2S2/c20-17-7-4-8-18(15-17)27(24,25)23-13-11-22(12-14-23)19(26)21-10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,21,26)