S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 3,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 3,5-dimethoxybenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-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=CC(=CC(=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N)OC

Isomeric SMILES

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

InChI

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