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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H21ClN4O3S3 MolecularWeight: 461.02164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O3S3/c1-2-26-17-21-20-16(27-17)19-15(23)12-7-8-13(18)14(11-12)28(24,25)22-9-5-3-4-6-10-22/h7-8,11H,2-6,9-10H2,1H3,(H,19,20,23)