4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-methyl-N-(4-morpholinosulfonylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-methyl-N-(4-morpholinosulfonylphenyl)-1,4-diazepane-1-carbothioamide Formula: C17H26N4O3S2 MolecularWeight: 398.54334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1CCCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H26N4O3S2/c1-19-7-2-8-20(10-9-19)17(25)18-15-3-5-16(6-4-15)26(22,23)21-11-13-24-14-12-21/h3-6H,2,7-14H2,1H3,(H,18,25)