S-[2-[[(2S)-1-azanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-1-oxobutan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxobutan-2-yl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H24N2O6S/c1-5-14(19(22)24)23-20(25)13-8-6-7-9-17(13)30-21(26)12-10-15(27-2)18(29-4)16(11-12)28-3/h6-11,14H,5H2,1-4H3,(H2,22,24)(H,23,25)/t14-/m0/s1