S-[3-[(4-bromophenyl)methyl-(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-[(4-bromophenyl)methyl-(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[(4-bromophenyl)methyl-(1-hydroxy-4-methylsulfanyl-butyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[(4-bromophenyl)methyl-[1-hydroxy-4-(methylthio)butyl]amino]-3-oxopropyl] ester IUPAC Name: S-[3-[(4-bromophenyl)methyl-(1-hydroxy-4-methylsulfanylbutyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[(4-bromobenzyl)-[1-hydroxy-4-(methylthio)butyl]amino]-3-keto-propyl] ester Formula: C22H26BrNO3S2 MolecularWeight: 496.48074

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(N(CC1=CC=C(C=C1)Br)C(=O)CCSC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CSCCCC(N(CC1=CC=C(C=C1)Br)C(=O)CCSC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C22H26BrNO3S2/c1-28-14-5-8-20(25)24(16-17-9-11-19(23)12-10-17)21(26)13-15-29-22(27)18-6-3-2-4-7-18/h2-4,6-7,9-12,20,25H,5,8,13-16H2,1H3