2-methoxyethyl 4-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(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=C2)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

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

InChI

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