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

Systemtic Name: ethyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[2-(1-naphthyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylamino]butyric acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C19H21N3O4S/c1-2-26-18(25)11-10-16(23)20-19(27)22-21-17(24)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,2,10-12H2,1H3,(H,21,24)(H2,20,22,23,27)