N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-ylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-ylsulfanyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-piperonyl-butyramide Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2O3S2/c22-18(20-11-13-7-8-15-16(10-13)24-12-23-15)6-3-9-25-19-21-14-4-1-2-5-17(14)26-19/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,20,22)