(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-(4-tert-butylphenyl)-2-(methylamino)propanoate

Systemtic Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-(4-tert-butylphenyl)-2-(methylamino)propanoate Openeye Name: (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-(4-tert-butylphenyl)-2-(methylamino)propanoate CAS Name: 3-(4-tert-butylphenyl)-2-(methylamino)propanoic acid [oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl] ester IUPAC Name: (2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoyl 3-(4-tert-butylphenyl)-2-(methylamino)propanoate Traditional Name: 3-(4-tert-butylphenyl)-2-(methylamino)propionic acid (2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)OC(=O)NC2=NNC(=S)S2)NC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)OC(=O)NC2=NNC(=S)S2)NC

InChI

InChI=1S/C17H22N4O3S2/c1-17(2,3)11-7-5-10(6-8-11)9-12(18-4)13(22)24-15(23)19-14-20-21-16(25)26-14/h5-8,12,18H,9H2,1-4H3,(H,21,25)(H,19,20,23)