4-[(4-methylsulfonylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(4-mesylbenzyl)-N-(3,4,5-trimethoxybenzyl)-1,4-diazepane-1-carbothioamide Formula: C24H33N3O5S2 MolecularWeight: 507.66592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H33N3O5S2/c1-30-21-14-19(15-22(31-2)23(21)32-3)16-25-24(33)27-11-5-10-26(12-13-27)17-18-6-8-20(9-7-18)34(4,28)29/h6-9,14-15H,5,10-13,16-17H2,1-4H3,(H,25,33)