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

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-(4-mesylbenzyl)-1,4-diazepane-1-carbothioamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S2/c1-35(31,32)26-14-8-22(9-15-26)20-29-16-5-17-30(19-18-29)27(34)28-24-10-12-25(13-11-24)33-21-23-6-3-2-4-7-23/h2-4,6-15H,5,16-21H2,1H3,(H,28,34)