N-(4-phenylmethoxyphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-benzyloxyphenyl)propanamide CAS Name: N-(4-phenylmethoxyphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(4-phenylmethoxyphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(4-benzoxyphenyl)propionamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-3-13-22-20-24-25-21(29-20)28-15(2)19(26)23-17-9-11-18(12-10-17)27-14-16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3,(H,22,24)(H,23,26)