S-[[4-[[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-3-phenyl-phenyl]methyl] N-(thiophen-2-ylmethyl)carbamothioate

Systemtic Name: S-[[4-[[(4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-3-phenyl-phenyl]methyl] N-(thiophen-2-ylmethyl)carbamothioate Openeye Name: S-[[4-[[(1-formyl-3-methylsulfanyl-propyl)amino]carbamoyl]-3-phenyl-phenyl]methyl] N-(2-thienylmethyl)carbamothioate CAS Name: N-(thiophen-2-ylmethyl)carbamothioic acid S-[[4-[[[4-(methylthio)-1-oxobutan-2-yl]hydrazo]-oxomethyl]-3-phenylphenyl]methyl] ester IUPAC Name: S-[[4-[[(4-methylsulfanyl-1-oxobutan-2-yl)amino]carbamoyl]-3-phenylphenyl]methyl] N-(thiophen-2-ylmethyl)carbamothioate Traditional Name: N-(2-thenyl)thiocarbamic acid S-[4-[[[1-formyl-3-(methylthio)propyl]amino]carbamoyl]-3-phenyl-benzyl] ester Formula: C25H27N3O3S3 MolecularWeight: 513.69518

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C=O)NNC(=O)C1=C(C=C(C=C1)CSC(=O)NCC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C=O)NNC(=O)C1=C(C=C(C=C1)CSC(=O)NCC2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S3/c1-32-13-11-20(16-29)27-28-24(30)22-10-9-18(14-23(22)19-6-3-2-4-7-19)17-34-25(31)26-15-21-8-5-12-33-21/h2-10,12,14,16,20,27H,11,13,15,17H2,1H3,(H,26,31)(H,28,30)