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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-3-sulfamoyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-3-sulfamoyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-methoxy-3-sulfamoylphenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-methoxy-3-sulfamoyl-phenyl)butyramide Formula: C18H19N3O4S3 MolecularWeight: 437.55616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)N

InChI

InChI=1S/C18H19N3O4S3/c1-25-14-9-8-12(11-16(14)28(19,23)24)20-17(22)7-4-10-26-18-21-13-5-2-3-6-15(13)27-18/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,22)(H2,19,23,24)