S-[2-[[(2S)-1-azanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2-methoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2-methoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] 2-methoxybenzenecarbothioate CAS Name: 2-methoxybenzenecarbothioic 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] 2-methoxybenzenecarbothioate Traditional Name: 2-methoxythiobenzoic acid S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C19H20N2O4S/c1-3-14(17(20)22)21-18(23)13-9-5-7-11-16(13)26-19(24)12-8-4-6-10-15(12)25-2/h4-11,14H,3H2,1-2H3,(H2,20,22)(H,21,23)/t14-/m0/s1