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S-[2-acetamido-3-[2-(2-methylpropanoylsulfanyl)ethylamino]-3-oxidanylidene-propyl] benzenecarbothioate

S-[2-acetamido-3-[2-(2-methylpropanoylsulfanyl)ethylamino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name:S-[2-acetamido-3-[2-(2-methylpropanoylsulfanyl)ethylamino]-3-oxidanylidene-propyl] benzenecarbothioate
Openeye Name:S-[2-acetamido-3-[2-(2-methylpropanoylsulfanyl)ethylamino]-3-oxo-propyl] benzenecarbothioate
CAS Name:benzenecarbothioic acid S-[2-acetamido-3-[2-[(2-methyl-1-oxopropyl)thio]ethylamino]-3-oxopropyl] ester
IUPAC Name:S-[2-acetamido-3-[2-(2-methylpropanoylsulfanyl)ethylamino]-3-oxopropyl] benzenecarbothioate
Traditional Name:thiobenzoic acid S-[2-acetamido-3-[2-(isobutyrylthio)ethylamino]-3-keto-propyl] ester
Formula: C18H24N2O4S2
MolecularWeight: 396.52416
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCNC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C


Isomeric SMILES

CC(C)C(=O)SCCNC(=O)C(CSC(=O)C1=CC=CC=C1)NC(=O)C


InChI

InChI=1S/C18H24N2O4S2/c1-12(2)17(23)25-10-9-19-16(22)15(20-13(3)21)11-26-18(24)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3,(H,19,22)(H,20,21)


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