N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-2-yl)thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyl-2-indolyl)-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(1-methylindol-2-yl)-N-piperonyl-thiazole-4-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O3S/c1-24-16-5-3-2-4-14(16)9-17(24)21-23-15(11-28-21)20(25)22-10-13-6-7-18-19(8-13)27-12-26-18/h2-9,11H,10,12H2,1H3,(H,22,25)