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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4OS/c23-17(19-13-16-3-1-12-22-16)21-9-2-8-20(10-11-21)14-15-4-6-18-7-5-15/h4-7,16H,1-3,8-14H2,(H,19,23)