3-phenylpropyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(1-naphthyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c30-23(15-16-25(32)33-17-7-10-19-8-2-1-3-9-19)27-26(34)29-28-24(31)18-21-13-6-12-20-11-4-5-14-22(20)21/h1-6,8-9,11-14H,7,10,15-18H2,(H,28,31)(H2,27,29,30,34)