N-[2-methyl-5-(3-propylsulfanylpropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[2-methyl-5-(3-propylsulfanylpropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[2-methyl-5-(3-propylsulfanylpropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[2-methyl-5-[oxo-[3-(propylthio)propylamino]methyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[2-methyl-5-(3-propylsulfanylpropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[2-methyl-5-[3-(propylthio)propylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=NSC3=CC=CC=C32

Isomeric SMILES

CCCSCCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=NSC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O2S2/c1-3-12-28-13-6-11-23-21(26)16-10-9-15(2)18(14-16)24-22(27)20-17-7-4-5-8-19(17)29-25-20/h4-5,7-10,14H,3,6,11-13H2,1-2H3,(H,23,26)(H,24,27)