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

Systemtic Name: N-(2-ethoxyphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-o-phenetyl-4-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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