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

Systemtic Name: propyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[2-(2-naphthyloxy)propanoylamino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2-naphthalen-2-yloxypropanoylamino)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(2-naphthoxy)propanoylamino]thiocarbamoylamino]butyric acid propyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C)OC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C)OC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H25N3O5S/c1-3-12-28-19(26)11-10-18(25)22-21(30)24-23-20(27)14(2)29-17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,27)(H2,22,24,25,30)