ethyl (E)-4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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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)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5S2/c1-3-29-20(26)14-13-19(25)23-21(30)22-17-9-11-18(12-10-17)31(27,28)24(2)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3,(H2,22,23,25,30)/b14-13+