ethyl (E)-4-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCC(CC2)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCC(CC2)C

InChI

InChI=1S/C20H25N3O4S/c1-3-27-18(25)9-8-17(24)22-20(28)21-16-7-5-4-6-15(16)19(26)23-12-10-14(2)11-13-23/h4-9,14H,3,10-13H2,1-2H3,(H2,21,22,24,28)/b9-8+