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

Systemtic Name: 3-phenylpropyl 5-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O5S/c31-22(9-4-10-23(32)35-17-5-8-18-6-2-1-3-7-18)28-26(36)30-29-25(34)20-13-15-21(16-14-20)27-24(33)19-11-12-19/h1-3,6-7,13-16,19H,4-5,8-12,17H2,(H,27,33)(H,29,34)(H2,28,30,31,36)