N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-piperonylamide Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N2O3S/c1-13-15(22-24-17-6-2-3-8-20(17)28-22)5-4-7-16(13)23-21(25)14-9-10-18-19(11-14)27-12-26-18/h2-11H,12H2,1H3,(H,23,25)