5-methyl-2-[[3-[3-[(4-methyl-2-sulfanyl-phenyl)methylamino]propylamino]propylamino]methyl]benzenethiol

Systemtic Name: 5-methyl-2-[[3-[3-[(4-methyl-2-sulfanyl-phenyl)methylamino]propylamino]propylamino]methyl]benzenethiol Openeye Name: 5-methyl-2-[[3-[3-[(4-methyl-2-sulfanyl-phenyl)methylamino]propylamino]propylamino]methyl]benzenethiol CAS Name: 2-[[3-[3-[(2-mercapto-4-methylphenyl)methylamino]propylamino]propylamino]methyl]-5-methylbenzenethiol IUPAC Name: 5-methyl-2-[[3-[3-[(4-methyl-2-sulfanylphenyl)methylamino]propylamino]propylamino]methyl]benzenethiol Traditional Name: 2-[[3-[3-[(2-mercapto-4-methyl-benzyl)amino]propylamino]propylamino]methyl]-5-methyl-benzenethiol Formula: C22H33N3S2 MolecularWeight: 403.64752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNCCCNCCCNCC2=C(C=C(C=C2)C)S)S

Isomeric SMILES

CC1=CC(=C(C=C1)CNCCCNCCCNCC2=C(C=C(C=C2)C)S)S

InChI

InChI=1S/C22H33N3S2/c1-17-5-7-19(21(26)13-17)15-24-11-3-9-23-10-4-12-25-16-20-8-6-18(2)14-22(20)27/h5-8,13-14,23-27H,3-4,9-12,15-16H2,1-2H3