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

Systemtic Name: 4-azanyl-N5-[(4-ethylphenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-[(4-ethylphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(4-ethylphenyl)methyl]-N3-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-[(4-ethylphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-(4-ethylbenzyl)isothiazole-3,5-dicarboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N4O2S/c1-2-14-8-10-16(11-9-14)13-24-21(27)19-17(22)18(25-28-19)20(26)23-12-15-6-4-3-5-7-15/h3-11H,2,12-13,22H2,1H3,(H,23,26)(H,24,27)