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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C23H24N4O4S3 MolecularWeight: 516.65606

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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)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4S3/c28-20(17-9-4-3-5-10-17)16-32-23-26-25-22(33-23)24-21(29)18-11-8-12-19(15-18)34(30,31)27-13-6-1-2-7-14-27/h3-5,8-12,15H,1-2,6-7,13-14,16H2,(H,24,25,29)