N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N(CCCN3CCCCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N(CCCN3CCCCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-31-23-14-12-21(13-15-23)24-20-32-26(27-24)29(25(30)22-10-5-4-6-11-22)19-9-18-28-16-7-2-3-8-17-28/h4-6,10-15,20H,2-3,7-9,16-19H2,1H3