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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H22N4O3S3 MolecularWeight: 426.57658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S3/c1-2-25-17-20-19-16(26-17)18-15(22)13-8-7-9-14(12-13)27(23,24)21-10-5-3-4-6-11-21/h7-9,12H,2-6,10-11H2,1H3,(H,18,19,22)