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

Systemtic Name: 4-azanyl-N3-[(2-chlorophenyl)methyl]-N5-pentyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-pentyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-pentylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-pentyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-amyl-N-(2-chlorobenzyl)isothiazole-3,5-dicarboxamide Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(C(=NS1)C(=O)NCC2=CC=CC=C2Cl)N

Isomeric SMILES

CCCCCNC(=O)C1=C(C(=NS1)C(=O)NCC2=CC=CC=C2Cl)N

InChI

InChI=1S/C17H21ClN4O2S/c1-2-3-6-9-20-17(24)15-13(19)14(22-25-15)16(23)21-10-11-7-4-5-8-12(11)18/h4-5,7-8H,2-3,6,9-10,19H2,1H3,(H,20,24)(H,21,23)