3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide Formula: C18H22N4O3S3 MolecularWeight: 438.58728

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N4O3S3/c1-2-12-26-18-21-20-17(27-18)19-16(23)14-8-7-9-15(13-14)28(24,25)22-10-5-3-4-6-11-22/h2,7-9,13H,1,3-6,10-12H2,(H,19,20,23)