ethyl 4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C19H27N3O5S2 MolecularWeight: 441.56478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C

InChI

InChI=1S/C19H27N3O5S2/c1-3-27-18(24)9-8-17(23)21-19(28)20-15-4-6-16(7-5-15)29(25,26)22-12-10-14(2)11-13-22/h4-7,14H,3,8-13H2,1-2H3,(H2,20,21,23,28)