4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N3-benzyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N3-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-benzyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4)N

InChI

InChI=1S/C20H18N4O4S/c21-16-17(19(25)22-9-12-4-2-1-3-5-12)24-29-18(16)20(26)23-10-13-6-7-14-15(8-13)28-11-27-14/h1-8H,9-11,21H2,(H,22,25)(H,23,26)