N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]carbamothioyl]hexadecanamide

Systemtic Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]carbamothioyl]hexadecanamide Openeye Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]carbamothioyl]hexadecanamide CAS Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]-4-methylanilino]-sulfanylidenemethyl]hexadecanamide IUPAC Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]-4-methylphenyl]carbamothioyl]hexadecanamide Traditional Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]thiocarbamoyl]palmitamide Formula: C41H60N4OS MolecularWeight: 657.0063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(=S)NC1=C(C=C(C(=C1)N(C)C)C)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(=S)NC1=C(C=C(C(=C1)N(C)C)C)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C41H60N4OS/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-39(46)43-41(47)42-37-31-38(45(5)6)32(2)30-36(37)40(33-23-20-19-21-24-33)34-26-28-35(29-27-34)44(3)4/h19-21,23-24,26-31,40H,7-18,22,25H2,1-6H3,(H2,42,43,46,47)