4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxy-phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxy-phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxy-phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-methoxy-3-(p-phenetylsulfamoyl)phenyl]butyramide Formula: C26H27N3O5S3 MolecularWeight: 557.70468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C26H27N3O5S3/c1-3-34-20-13-10-18(11-14-20)29-37(31,32)24-17-19(12-15-22(24)33-2)27-25(30)9-6-16-35-26-28-21-7-4-5-8-23(21)36-26/h4-5,7-8,10-15,17,29H,3,6,9,16H2,1-2H3,(H,27,30)