S-[2-[(4-ethoxyphenyl)methyl]-3-[(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[2-[(4-ethoxyphenyl)methyl]-3-[(4-methylsulfanyl-1-oxidanyl-butyl)amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[2-[(4-ethoxyphenyl)methyl]-3-[(1-hydroxy-4-methylsulfanyl-butyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[(4-ethoxyphenyl)methyl]-3-[[1-hydroxy-4-(methylthio)butyl]amino]-3-oxopropyl] ester IUPAC Name: S-[2-[(4-ethoxyphenyl)methyl]-3-[(1-hydroxy-4-methylsulfanylbutyl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(4-ethoxybenzyl)-3-[[1-hydroxy-4-(methylthio)butyl]amino]-3-keto-propyl] ester Formula: C24H31NO4S2 MolecularWeight: 461.63724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CCCSC)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC(CCCSC)O

InChI

InChI=1S/C24H31NO4S2/c1-3-29-21-13-11-18(12-14-21)16-20(23(27)25-22(26)10-7-15-30-2)17-31-24(28)19-8-5-4-6-9-19/h4-6,8-9,11-14,20,22,26H,3,7,10,15-17H2,1-2H3,(H,25,27)