N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O2S/c1-27-20-7-8-21(28-2)18(16-20)9-11-24-22(29)26-13-5-12-25(14-15-26)17-19-6-3-4-10-23-19/h3-4,6-8,10,16H,5,9,11-15,17H2,1-2H3,(H,24,29)