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

Systemtic Name: N-cyclooctyl-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclooctyl-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-cyclooctyl-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclooctyl-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclooctyl-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H32N4S MolecularWeight: 360.55988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H32N4S/c25-20(22-18-9-4-2-1-3-5-10-18)24-14-8-13-23(15-16-24)17-19-11-6-7-12-21-19/h6-7,11-12,18H,1-5,8-10,13-17H2,(H,22,25)