N-(2,6-diethylphenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]acetamide Formula: C26H37N3OS MolecularWeight: 439.65648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)SCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)SCC

InChI

InChI=1S/C26H37N3OS/c1-4-22-9-7-10-23(5-2)26(22)27-25(30)20-29-16-8-15-28(17-18-29)19-21-11-13-24(14-12-21)31-6-3/h7,9-14H,4-6,8,15-20H2,1-3H3,(H,27,30)