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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-5-chloranyl-phenyl] 3,5-dimethoxybenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-5-chloro-phenyl] 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-5-chlorophenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-5-chlorophenyl] 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-5-chloro-phenyl] ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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