S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]phenyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NC(CCSC)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)N[C@@H](CCSC)C(=O)N)OC

InChI

InChI=1S/C21H24N2O5S2/c1-27-16-9-8-13(12-17(16)28-2)21(26)30-18-7-5-4-6-14(18)20(25)23-15(19(22)24)10-11-29-3/h4-9,12,15H,10-11H2,1-3H3,(H2,22,24)(H,23,25)/t15-/m0/s1