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

Systemtic Name: N-cyclooctyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclooctyl-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-cyclooctyl-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclooctyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclooctyl-4-(3-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=CN=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC3=CN=CC=C3

InChI

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