S-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] N-ethyl-N-(phenylmethyl)carbamothioate

Systemtic Name: S-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] N-ethyl-N-(phenylmethyl)carbamothioate Openeye Name: S-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] N-benzyl-N-ethyl-carbamothioate CAS Name: N-ethyl-N-(phenylmethyl)carbamothioic acid S-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] ester IUPAC Name: S-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] N-benzyl-N-ethylcarbamothioate Traditional Name: N-benzyl-N-ethyl-thiocarbamic acid S-[3-(2-keto-1,3-benzothiazol-3-yl)propyl] ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)SCCCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)SCCCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C20H22N2O2S2/c1-2-21(15-16-9-4-3-5-10-16)19(23)25-14-8-13-22-17-11-6-7-12-18(17)26-20(22)24/h3-7,9-12H,2,8,13-15H2,1H3