N-[2-(azepan-1-yl)ethyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(4-ethoxyphenyl)-4-methyl-thiazole-5-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(4-ethoxyphenyl)-4-methyl-5-thiazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-methyl-2-p-phenetyl-thiazole-5-carboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCCN3CCCCCC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCCN3CCCCCC3)C

InChI

InChI=1S/C21H29N3O2S/c1-3-26-18-10-8-17(9-11-18)21-23-16(2)19(27-21)20(25)22-12-15-24-13-6-4-5-7-14-24/h8-11H,3-7,12-15H2,1-2H3,(H,22,25)