ethyl (E)-4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C20H28N4O4S/c1-4-24(5-2)14-13-21-19(27)15-7-9-16(10-8-15)22-20(29)23-17(25)11-12-18(26)28-6-3/h7-12H,4-6,13-14H2,1-3H3,(H,21,27)(H2,22,23,25,29)/b12-11+