3-methyl-N-[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-methyl-N-[5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: 3-methyl-N-[5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[[2-(benzylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S2/c1-13-6-5-9-15(10-13)17(25)21-18-22-23-19(27-18)26-12-16(24)20-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,24)(H,21,22,25)