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

Systemtic Name: 4-azanyl-N5-cycloheptyl-N3-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-cycloheptyl-N3-[(3-methoxyphenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-cycloheptyl-N3-[(3-methoxyphenyl)methyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-cycloheptyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-cycloheptyl-N-m-anisyl-isothiazole-3,5-dicarboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NSC(=C2N)C(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NSC(=C2N)C(=O)NC3CCCCCC3

InChI

InChI=1S/C20H26N4O3S/c1-27-15-10-6-7-13(11-15)12-22-19(25)17-16(21)18(28-24-17)20(26)23-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12,21H2,1H3,(H,22,25)(H,23,26)