4-[(4-methylsulfonylphenyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(4-mesylbenzyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C23H31N3O2S2/c1-17-14-19(3)22(15-18(17)2)24-23(29)26-11-5-10-25(12-13-26)16-20-6-8-21(9-7-20)30(4,27)28/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,24,29)