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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-propoxyphenyl)ethyl]-2-methyl-5-phenyl-4-thiazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-propoxyphenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CNC(=O)C2=C(SC(=N2)C)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(CNC(=O)C2=C(SC(=N2)C)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C28H35N3O2S/c1-3-19-33-24-15-13-22(14-16-24)25(31-17-9-4-5-10-18-31)20-29-28(32)26-27(34-21(2)30-26)23-11-7-6-8-12-23/h6-8,11-16,25H,3-5,9-10,17-20H2,1-2H3,(H,29,32)