S-[2-oxidanylidene-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-oxidanylidene-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S2/c1-9(2)12-16-17-14(21-12)15-11(18)8-20-13(19)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,17,18)