3-phenylpropyl 5-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H36N4O5S MolecularWeight: 552.68494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H36N4O5S/c34-25(14-7-15-26(35)38-20-8-11-21-9-3-1-4-10-21)31-29(39)33-32-28(37)23-16-18-24(19-17-23)30-27(36)22-12-5-2-6-13-22/h1,3-4,9-10,16-19,22H,2,5-8,11-15,20H2,(H,30,36)(H,32,37)(H2,31,33,34,39)