N-[3-[[4-(2-oxidanyl-3-phenylmethoxy-propyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]amino]phenyl]ethanamide

Systemtic Name: N-[3-[[4-(2-oxidanyl-3-phenylmethoxy-propyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]amino]phenyl]ethanamide Openeye Name: N-[3-[[4-(3-benzyloxy-2-hydroxy-propyl)-5-thioxo-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide CAS Name: N-[3-[[4-(2-hydroxy-3-phenylmethoxypropyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide IUPAC Name: N-[3-[[4-(2-hydroxy-3-phenylmethoxypropyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide Traditional Name: N-[3-[[4-(3-benzoxy-2-hydroxy-propyl)-5-thioxo-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=NN(C(=S)S2)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=NN(C(=S)S2)CC(COCC3=CC=CC=C3)O

InChI

InChI=1S/C20H22N4O3S2/c1-14(25)21-16-8-5-9-17(10-16)22-19-23-24(20(28)29-19)11-18(26)13-27-12-15-6-3-2-4-7-15/h2-10,18,26H,11-13H2,1H3,(H,21,25)(H,22,23)