N-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-o-phenetyl-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C20H26N4OS/c1-2-25-19-9-4-3-8-18(19)22-20(26)24-12-6-11-23(13-14-24)16-17-7-5-10-21-15-17/h3-5,7-10,15H,2,6,11-14,16H2,1H3,(H,22,26)