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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-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)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-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)-4-chloro-benzamide Formula: C18H21ClN4O3S3 MolecularWeight: 473.03234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S3/c1-2-11-27-18-22-21-17(28-18)20-16(24)13-7-8-14(19)15(12-13)29(25,26)23-9-5-3-4-6-10-23/h2,7-8,12H,1,3-6,9-11H2,(H,20,21,24)