3-phenylpropyl 5-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H32N4O5S/c1-18(2)24(33)27-21-15-13-20(14-16-21)25(34)29-30-26(36)28-22(31)11-6-12-23(32)35-17-7-10-19-8-4-3-5-9-19/h3-5,8-9,13-16,18H,6-7,10-12,17H2,1-2H3,(H,27,33)(H,29,34)(H2,28,30,31,36)