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

Systemtic Name: 3-phenylpropyl 5-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(2-naphthyloxy)propanoylamino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-(2-naphthoxy)propanoylamino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C28H31N3O5S MolecularWeight: 521.62784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC1=CC=CC=C1)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C28H31N3O5S/c1-20(36-24-17-16-22-12-5-6-13-23(22)19-24)27(34)30-31-28(37)29-25(32)14-7-15-26(33)35-18-8-11-21-9-3-2-4-10-21/h2-6,9-10,12-13,16-17,19-20H,7-8,11,14-15,18H2,1H3,(H,30,34)(H2,29,31,32,37)