(2-methanoyl-3-phenyl-propyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]carbamic acid

Systemtic Name: (2-methanoyl-3-phenyl-propyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]carbamic acid Openeye Name: (2-benzyl-3-oxo-propyl)-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]carbamic acid CAS Name: (2-formyl-3-phenylpropyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]carbamic acid IUPAC Name: (2-benzyl-3-oxopropyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]carbamic acid Traditional Name: (2-benzyl-3-keto-propyl)-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]carbamic acid Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN(C(=O)O)NC2=NNC(=S)S2)C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(CN(C(=O)O)NC2=NNC(=S)S2)C=O

InChI

InChI=1S/C13H14N4O3S2/c18-8-10(6-9-4-2-1-3-5-9)7-17(13(19)20)16-11-14-15-12(21)22-11/h1-5,8,10H,6-7H2,(H,14,16)(H,15,21)(H,19,20)