ethyl (E)-4-oxidanylidene-4-[(2-piperidin-1-ylcarbonylphenyl)carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(2-piperidin-1-ylcarbonylphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[2-(piperidine-1-carbonyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[2-(piperidine-1-carbonyl)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCC2

InChI

InChI=1S/C19H23N3O4S/c1-2-26-17(24)11-10-16(23)21-19(27)20-15-9-5-4-8-14(15)18(25)22-12-6-3-7-13-22/h4-5,8-11H,2-3,6-7,12-13H2,1H3,(H2,20,21,23,27)/b11-10+