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

Systemtic Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-phenyl-4-thiazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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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)OC)N4CCCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3S/c1-19-29-25(26(34-19)20-11-7-6-8-12-20)27(31)28-18-22(30-15-9-4-5-10-16-30)21-13-14-23(32-2)24(17-21)33-3/h6-8,11-14,17,22H,4-5,9-10,15-16,18H2,1-3H3,(H,28,31)