2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: 2-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-benzyloxyphenyl)propanamide CAS Name: 2-[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: 2-[[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-benzoxyphenyl)propionamide Formula: C20H20N4O3S3 MolecularWeight: 460.5928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(S3)SCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(S3)SCC(=O)N

InChI

InChI=1S/C20H20N4O3S3/c1-13(29-20-24-23-19(30-20)28-12-17(21)25)18(26)22-15-7-9-16(10-8-15)27-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,21,25)(H,22,26)