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

Systemtic Name: 3-phenylpropyl 5-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H29N3O5S/c31-24(13-6-14-26(33)34-17-7-10-20-8-2-1-3-9-20)28-27(36)30-29-25(32)19-35-23-16-15-21-11-4-5-12-22(21)18-23/h1-5,8-9,11-12,15-16,18H,6-7,10,13-14,17,19H2,(H,29,32)(H2,28,30,31,36)