ethyl (E)-4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C2CCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C2CCCCC2

InChI

InChI=1S/C21H27N3O4S/c1-3-28-19(26)14-13-18(25)23-21(29)22-17-12-8-7-11-16(17)20(27)24(2)15-9-5-4-6-10-15/h7-8,11-15H,3-6,9-10H2,1-2H3,(H2,22,23,25,29)/b14-13+