2-methoxyethyl 4-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C21H29N3O5S/c1-15-9-11-24(12-10-15)20(27)16-5-3-4-6-17(16)22-21(30)23-18(25)7-8-19(26)29-14-13-28-2/h3-6,15H,7-14H2,1-2H3,(H2,22,23,25,30)