S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,6-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,6-dimethoxybenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 2,6-dimethoxybenzenecarbothioate CAS Name: 2,6-dimethoxybenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 2,6-dimethoxybenzenecarbothioate Traditional Name: 2,6-dimethoxythiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-25-13-7-5-8-14(26-2)17(13)19(24)27-15-9-4-3-6-12(15)18(23)21-11-10-16(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)