S-[2-oxidanylidene-2-[(phenylmethyl)-(4-propan-2-yl-1,3-benzothiazol-2-yl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[(phenylmethyl)-(4-propan-2-yl-1,3-benzothiazol-2-yl)amino]ethyl] ethanethioate Openeye Name: S-[2-[benzyl-(4-isopropyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[(phenylmethyl)-(4-propan-2-yl-1,3-benzothiazol-2-yl)amino]ethyl] ester IUPAC Name: S-[2-[benzyl-(4-propan-2-yl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[benzyl-(4-isopropyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CSC(=O)C

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C21H22N2O2S2/c1-14(2)17-10-7-11-18-20(17)22-21(27-18)23(19(25)13-26-15(3)24)12-16-8-5-4-6-9-16/h4-11,14H,12-13H2,1-3H3