ethyl (E)-4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C20H24ClN3O4S MolecularWeight: 437.94026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2

InChI

InChI=1S/C20H24ClN3O4S/c1-2-28-18(26)11-10-17(25)24-20(29)23-14-8-9-16(21)15(12-14)19(27)22-13-6-4-3-5-7-13/h8-13H,2-7H2,1H3,(H,22,27)(H2,23,24,25,29)/b11-10+