phenethyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(2-naphthylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(naphthalen-2-ylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-naphthylthiocarbamoylamino)butyric acid phenethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H22N2O3S/c26-21(12-13-22(27)28-15-14-17-6-2-1-3-7-17)25-23(29)24-20-11-10-18-8-4-5-9-19(18)16-20/h1-11,16H,12-15H2,(H2,24,25,26,29)