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

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-morpholinoethyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-morpholinoethyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C18H29N5OS MolecularWeight: 363.52076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H29N5OS/c25-18(20-6-9-21-12-14-24-15-13-21)23-8-3-7-22(10-11-23)16-17-4-1-2-5-19-17/h1-2,4-5H,3,6-16H2,(H,20,25)