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

Systemtic Name: 3-phenylpropyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-(2-naphthyloxy)propanoylamino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(2-naphthoxy)propanoylamino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S/c1-19(35-23-14-13-21-11-5-6-12-22(21)18-23)26(33)29-30-27(36)28-24(31)15-16-25(32)34-17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,18-19H,7,10,15-17H2,1H3,(H,29,33)(H2,28,30,31,36)