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

Systemtic Name: 3-phenylpropyl 5-[[(4-benzamidophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-benzamidobenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H30N4O5S/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/h1-6,9-10,12-13,16-19H,7-8,11,14-15,20H2,(H,30,36)(H,32,37)(H2,31,33,34,39)