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

Systemtic Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]carbamothioyl]octadecanamide Openeye Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]carbamothioyl]octadecanamide CAS Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]-4-methylanilino]-sulfanylidenemethyl]octadecanamide IUPAC Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]-4-methylphenyl]carbamothioyl]octadecanamide Traditional Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]thiocarbamoyl]stearamide Formula: C43H64N4OS MolecularWeight: 685.05946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=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

CCCCCCCCCCCCCCCCCC(=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/C43H64N4OS/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-41(48)45-43(49)44-39-33-40(47(5)6)34(2)32-38(39)42(35-25-22-21-23-26-35)36-28-30-37(31-29-36)46(3)4/h21-23,25-26,28-33,42H,7-20,24,27H2,1-6H3,(H2,44,45,48,49)