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

Systemtic Name: N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-pyridylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-oxolanylmethyl)-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-pyridylmethyl)-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C17H26N4OS MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H26N4OS/c23-17(19-13-16-5-2-11-22-16)21-8-3-7-20(9-10-21)14-15-4-1-6-18-12-15/h1,4,6,12,16H,2-3,5,7-11,13-14H2,(H,19,23)