3-(azepan-1-ylsulfonyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H24N4O3S3 MolecularWeight: 488.64596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S3/c27-20(23-21-24-25-22(31-21)30-16-17-9-4-3-5-10-17)18-11-8-12-19(15-18)32(28,29)26-13-6-1-2-7-14-26/h3-5,8-12,15H,1-2,6-7,13-14,16H2,(H,23,24,27)