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

Systemtic Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]carbamothioyl]octanamide Openeye Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]carbamothioyl]octanamide CAS Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]-4-methylanilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]-4-methylphenyl]carbamothioyl]octanamide Traditional Name: N-[[5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]-4-methyl-phenyl]thiocarbamoyl]caprylamide Formula: C33H44N4OS MolecularWeight: 544.79366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=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

CCCCCCCC(=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/C33H44N4OS/c1-7-8-9-10-14-17-31(38)35-33(39)34-29-23-30(37(5)6)24(2)22-28(29)32(25-15-12-11-13-16-25)26-18-20-27(21-19-26)36(3)4/h11-13,15-16,18-23,32H,7-10,14,17H2,1-6H3,(H2,34,35,38,39)