3-phenylpropyl 5-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C23H26N4O4S/c1-16-14-17(2)27(22(30)19(16)15-24)26-23(32)25-20(28)11-6-12-21(29)31-13-7-10-18-8-4-3-5-9-18/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,25,26,28,32)