N3-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: N3-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide Openeye Name: N3-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]benzene-1,3-dicarboxamide CAS Name: N3-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]benzene-1,3-dicarboxamide IUPAC Name: 3-N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide Traditional Name: N'-(4-methyl-5-piperonyl-thiazol-2-yl)isophthalamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC(=C2)C(=O)N)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC(=C2)C(=O)N)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O4S/c1-11-17(8-12-5-6-15-16(7-12)27-10-26-15)28-20(22-11)23-19(25)14-4-2-3-13(9-14)18(21)24/h2-7,9H,8,10H2,1H3,(H2,21,24)(H,22,23,25)