4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N3-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N3-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N3-[(2-chlorophenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N3-[(2-chlorophenyl)methyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-(2-chlorobenzyl)-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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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=C4Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C20H17ClN4O4S/c21-13-4-2-1-3-12(13)9-24-19(26)17-16(22)18(30-25-17)20(27)23-8-11-5-6-14-15(7-11)29-10-28-14/h1-7H,8-10,22H2,(H,23,27)(H,24,26)