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

Systemtic Name: 4-azanyl-N5-[(4-methoxyphenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-[(4-methoxyphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(4-methoxyphenyl)methyl]-N3-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-p-anisyl-isothiazole-3,5-dicarboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-27-15-9-7-14(8-10-15)12-23-20(26)18-16(21)17(24-28-18)19(25)22-11-13-5-3-2-4-6-13/h2-10H,11-12,21H2,1H3,(H,22,25)(H,23,26)