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

Systemtic Name: propyl 4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C20H29N3O5S2 MolecularWeight: 455.59136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S2/c1-3-14-28-19(25)9-8-18(24)22-20(29)21-16-4-6-17(7-5-16)30(26,27)23-12-10-15(2)11-13-23/h4-7,15H,3,8-14H2,1-2H3,(H2,21,22,24,29)