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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[4-(1-piperidylsulfonyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[(4-piperidinosulfonylphenyl)thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H23N3O5S2/c1-2-26-17(23)11-10-16(22)20-18(27)19-14-6-8-15(9-7-14)28(24,25)21-12-4-3-5-13-21/h6-11H,2-5,12-13H2,1H3,(H2,19,20,22,27)/b11-10+