N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C19H25N5O4S3 MolecularWeight: 483.6279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=C(S3)NCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSC3=NN=C(S3)NCC=C

InChI

InChI=1S/C19H25N5O4S3/c1-3-9-20-18-22-23-19(30-18)29-13-17(25)21-15-12-14(7-8-16(15)28-2)31(26,27)24-10-5-4-6-11-24/h3,7-8,12H,1,4-6,9-11,13H2,2H3,(H,20,22)(H,21,25)