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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-phenyl-4-thiazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCCC4

Isomeric SMILES

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCCC4

InChI

InChI=1S/C26H31N3O2S/c1-19-28-24(25(32-19)21-10-6-5-7-11-21)26(30)27-18-23(29-16-8-3-4-9-17-29)20-12-14-22(31-2)15-13-20/h5-7,10-15,23H,3-4,8-9,16-18H2,1-2H3,(H,27,30)