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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4S/c25-20(22-19-7-4-2-1-3-5-8-19)24-14-6-13-23(15-16-24)17-18-9-11-21-12-10-18/h9-12,19H,1-8,13-17H2,(H,22,25)