N-(4-phenylmethoxyphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-phenylmethoxyphenyl)-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C25H28N4OS/c31-25(29-16-6-15-28(17-18-29)19-23-9-4-5-14-26-23)27-22-10-12-24(13-11-22)30-20-21-7-2-1-3-8-21/h1-5,7-14H,6,15-20H2,(H,27,31)