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

Systemtic Name: N-[4-(diethylamino)phenyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-(4-mesylbenzyl)-1,4-diazepane-1-carbothioamide Formula: C24H34N4O2S2 MolecularWeight: 474.68236

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H34N4O2S2/c1-4-27(5-2)22-11-9-21(10-12-22)25-24(31)28-16-6-15-26(17-18-28)19-20-7-13-23(14-8-20)32(3,29)30/h7-14H,4-6,15-19H2,1-3H3,(H,25,31)