N-(4-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-phenylmethoxyphenyl)-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-(3-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=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CN=CC=C4

InChI

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