3-phenylpropyl 5-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(1-naphthyl)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H29N3O4S/c31-24(16-7-17-26(33)34-18-8-11-20-9-2-1-3-10-20)28-27(35)30-29-25(32)19-22-14-6-13-21-12-4-5-15-23(21)22/h1-6,9-10,12-15H,7-8,11,16-19H2,(H,29,32)(H2,28,30,31,35)