phenethyl 4-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-4,5-dimethyl-2-thienyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

InChI

InChI=1S/C20H23N3O4S2/c1-12-13(2)29-19(17(12)18(21)26)23-20(28)22-15(24)8-9-16(25)27-11-10-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H2,21,26)(H2,22,23,24,28)