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

Systemtic Name: 4-azanyl-N3-[(2-chlorophenyl)methyl]-N5-[(4-propoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[(4-propoxyphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-[(4-propoxyphenyl)methyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-propoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-(2-chlorobenzyl)-N'-(4-propoxybenzyl)isothiazole-3,5-dicarboxamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3Cl)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C22H23ClN4O3S/c1-2-11-30-16-9-7-14(8-10-16)12-25-22(29)20-18(24)19(27-31-20)21(28)26-13-15-5-3-4-6-17(15)23/h3-10H,2,11-13,24H2,1H3,(H,25,29)(H,26,28)