4-[(6-methylpyridin-2-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4OS/c1-21-7-5-10-24(27-21)19-29-15-6-16-30(18-17-29)26(32)28-23-11-13-25(14-12-23)31-20-22-8-3-2-4-9-22/h2-5,7-14H,6,15-20H2,1H3,(H,28,32)