2-[4-(oxolan-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(oxolan-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: N-phenyl-2-[4-(tetrahydrofuran-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-(oxolan-2-ylmethylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: N-phenyl-2-[4-(tetrahydrofurfurylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H28N4O2S/c24-18(21-16-6-2-1-3-7-16)15-22-9-5-10-23(12-11-22)19(26)20-14-17-8-4-13-25-17/h1-3,6-7,17H,4-5,8-15H2,(H,20,26)(H,21,24)