S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate CAS Name: 2-methoxybenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate Traditional Name: 2-methoxythiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

Isomeric SMILES

COC1=CC=CC=C1C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

InChI

InChI=1S/C18H18N2O4S/c1-24-14-8-4-2-6-12(14)18(23)25-15-9-5-3-7-13(15)17(22)20-11-10-16(19)21/h2-9H,10-11H2,1H3,(H2,19,21)(H,20,22)