N-[3-aminocarbonyl-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophen-2-yl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophen-2-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-carbamoyl-4-methyl-2-thienyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-carbamoyl-4-methyl-2-thiophenyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-carbamoyl-4-methylthiophen-2-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-(3-carbamoyl-4-methyl-5-piperonyl-2-thienyl)-1,3-benzothiazole-2-carboxamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=NC3=CC=CC=C3S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N3O4S2/c1-11-17(9-12-6-7-14-15(8-12)29-10-28-14)31-21(18(11)19(23)26)25-20(27)22-24-13-4-2-3-5-16(13)30-22/h2-8H,9-10H2,1H3,(H2,23,26)(H,25,27)