ethyl 4-[[4-(2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]carbothioylamino]butanoate

Systemtic Name: ethyl 4-[[4-(2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 4-[[4-(2-oxo-4-phenyl-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(2-oxo-4-phenyl-3-oxazolidinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(2-keto-4-phenyl-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)N1CCC(CC1)N2C(COC2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=S)N1CCC(CC1)N2C(COC2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S/c1-2-27-19(25)9-6-12-22-20(29)23-13-10-17(11-14-23)24-18(15-28-21(24)26)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,29)