O-naphthalen-1-yl N-[[4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate

Systemtic Name: O-naphthalen-1-yl N-[[4-(hydroxymethyl)-5-oxidanylidene-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate Openeye Name: O-(1-naphthyl) N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate CAS Name: N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioic acid O-(1-naphthalenyl) ester IUPAC Name: O-naphthalen-1-yl N-[[4-(hydroxymethyl)-5-oxo-2,3-dihydro-1-benzothiepin-4-yl]methyl]carbamothioate Traditional Name: N-[(5-keto-4-methylol-2,3-dihydro-1-benzothiepin-4-yl)methyl]thiocarbamic acid O-(1-naphthyl) ester Formula: C23H21NO3S2 MolecularWeight: 423.54774

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C(=O)C1(CNC(=S)OC3=CC=CC4=CC=CC=C43)CO

Isomeric SMILES

C1CSC2=CC=CC=C2C(=O)C1(CNC(=S)OC3=CC=CC4=CC=CC=C43)CO

InChI

InChI=1S/C23H21NO3S2/c25-15-23(12-13-29-20-11-4-3-9-18(20)21(23)26)14-24-22(28)27-19-10-5-7-16-6-1-2-8-17(16)19/h1-11,25H,12-15H2,(H,24,28)