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

Systemtic Name: N-(2,2-diphenylethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,2-diphenylethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2,2-diphenylethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,2-diphenylethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,2-diphenylethyl)-4-(4-mesylbenzyl)-1,4-diazepane-1-carbothioamide Formula: C28H33N3O2S2 MolecularWeight: 507.71052

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2S2/c1-35(32,33)26-15-13-23(14-16-26)22-30-17-8-18-31(20-19-30)28(34)29-21-27(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,27H,8,17-22H2,1H3,(H,29,34)