3-phenylpropyl 5-[(cyclohexylcarbonylamino)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(cyclohexylcarbonylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(cyclohexanecarbonylamino)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[cyclohexyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(cyclohexanecarbonylamino)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(cyclohexanecarbonylamino)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O4S/c26-19(23-22(30)25-24-21(28)18-12-5-2-6-13-18)14-7-15-20(27)29-16-8-11-17-9-3-1-4-10-17/h1,3-4,9-10,18H,2,5-8,11-16H2,(H,24,28)(H2,23,25,26,30)