4-azanyl-N5-[(3,4-dimethoxyphenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(3,4-dimethoxyphenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-[(3,4-dimethoxyphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(3,4-dimethoxyphenyl)methyl]-N3-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-[(3,4-dimethoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-veratryl-isothiazole-3,5-dicarboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C21H22N4O4S/c1-28-15-9-8-14(10-16(15)29-2)12-24-21(27)19-17(22)18(25-30-19)20(26)23-11-13-6-4-3-5-7-13/h3-10H,11-12,22H2,1-2H3,(H,23,26)(H,24,27)