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

Systemtic Name: 3-phenylpropyl 5-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-carbamoyl-4,5-dimethyl-2-thienyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C

InChI

InChI=1S/C22H27N3O4S2/c1-14-15(2)31-21(19(14)20(23)28)25-22(30)24-17(26)11-6-12-18(27)29-13-7-10-16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-13H2,1-2H3,(H2,23,28)(H2,24,25,26,30)