4-[(4-methylsulfonylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(4-mesylbenzyl)-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide Formula: C20H32N4O3S2 MolecularWeight: 440.62308

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

InChI

InChI=1S/C20H32N4O3S2/c1-29(25,26)19-5-3-18(4-6-19)17-23-8-2-9-24(12-11-23)20(28)21-7-10-22-13-15-27-16-14-22/h3-6H,2,7-17H2,1H3,(H,21,28)