3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]propionamide Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)CCSCC(=O)N)N2CCOCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)CCSCC(=O)N)N2CCOCC2)OC

InChI

InChI=1S/C19H29N3O5S/c1-25-16-4-3-14(11-17(16)26-2)15(22-6-8-27-9-7-22)12-21-19(24)5-10-28-13-18(20)23/h3-4,11,15H,5-10,12-13H2,1-2H3,(H2,20,23)(H,21,24)