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

Systemtic Name: 4-azanyl-N5-[2-(cyclohexen-1-yl)ethyl]-N3-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclohexen-1-yl)ethyl]-N3-[(3-methoxyphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(1-cyclohexenyl)ethyl]-N3-[(3-methoxyphenyl)methyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclohexen-1-yl)ethyl]-N-m-anisyl-isothiazole-3,5-dicarboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NSC(=C2N)C(=O)NCCC3=CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NSC(=C2N)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C21H26N4O3S/c1-28-16-9-5-8-15(12-16)13-24-20(26)18-17(22)19(29-25-18)21(27)23-11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11,13,22H2,1H3,(H,23,27)(H,24,26)