S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-4-chloro-phenyl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-4-chlorophenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-4-chlorophenyl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-4-chloro-phenyl] ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SC2=C(C=C(C=C2)Cl)C(=O)NCCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SC2=C(C=C(C=C2)Cl)C(=O)NCCC(=O)N)OC

InChI

InChI=1S/C19H19ClN2O5S/c1-26-14-5-3-11(9-15(14)27-2)19(25)28-16-6-4-12(20)10-13(16)18(24)22-8-7-17(21)23/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23)(H,22,24)