N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-piperonyl-thiazole-4-carboxamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O4S2/c1-12-2-4-16-14(6-12)24-21(28-16)30-10-19-23-15(9-29-19)20(25)22-8-13-3-5-17-18(7-13)27-11-26-17/h2-7,9H,8,10-11H2,1H3,(H,22,25)