3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(2,4-dimorpholin-4-ylphenyl)benzamide

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(2,4-dimorpholin-4-ylphenyl)benzamide Openeye Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(2,4-dimorpholinophenyl)benzamide CAS Name: N-[2,4-bis(4-morpholinyl)phenyl]-3-[[(2,4-dimethylphenyl)thio]methyl]benzamide IUPAC Name: 3-[(2,4-dimethylphenyl)sulfanylmethyl]-N-(2,4-dimorpholin-4-ylphenyl)benzamide Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]-N-(2,4-dimorpholinophenyl)benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)N5CCOCC5)C

InChI

InChI=1S/C30H35N3O3S/c1-22-6-9-29(23(2)18-22)37-21-24-4-3-5-25(19-24)30(34)31-27-8-7-26(32-10-14-35-15-11-32)20-28(27)33-12-16-36-17-13-33/h3-9,18-20H,10-17,21H2,1-2H3,(H,31,34)