3-phenylpropyl 5-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(3-amino-3-oxopropyl)-benzylcarbamothioyl]amino]-5-oxopentanoate Traditional Name: 5-[[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O4S/c26-22(29)16-17-28(19-21-11-5-2-6-12-21)25(33)27-23(30)14-7-15-24(31)32-18-8-13-20-9-3-1-4-10-20/h1-6,9-12H,7-8,13-19H2,(H2,26,29)(H,27,30,33)