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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-chlorophenyl)ethyl]-2-methyl-5-phenyl-4-thiazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-chlorophenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide Formula: C25H28ClN3OS MolecularWeight: 454.02732

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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)Cl)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3OS/c1-18-28-23(24(31-18)20-9-5-4-6-10-20)25(30)27-17-22(19-11-13-21(26)14-12-19)29-15-7-2-3-8-16-29/h4-6,9-14,22H,2-3,7-8,15-17H2,1H3,(H,27,30)