N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(3-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=CN=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CN=CC=C3

InChI

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