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

Systemtic Name: 4-azanyl-N3-[(2-chlorophenyl)methyl]-N5-(4-phenylbutan-2-yl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-(1-methyl-3-phenyl-propyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-[(2-chlorophenyl)methyl]-N5-(4-phenylbutan-2-yl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(4-phenylbutan-2-yl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-(2-chlorobenzyl)-N'-(1-methyl-3-phenyl-propyl)isothiazole-3,5-dicarboxamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3Cl)N

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C22H23ClN4O2S/c1-14(11-12-15-7-3-2-4-8-15)26-22(29)20-18(24)19(27-30-20)21(28)25-13-16-9-5-6-10-17(16)23/h2-10,14H,11-13,24H2,1H3,(H,25,28)(H,26,29)