3-(4-isothiocyanatophenyl)-2-methyl-1,3-bis[(2-sulfanylphenyl)methylamino]butan-2-ol

Systemtic Name: 3-(4-isothiocyanatophenyl)-2-methyl-1,3-bis[(2-sulfanylphenyl)methylamino]butan-2-ol Openeye Name: 3-(4-isothiocyanatophenyl)-2-methyl-1,3-bis[(2-sulfanylphenyl)methylamino]butan-2-ol CAS Name: 3-(4-isothiocyanatophenyl)-1,3-bis[(2-mercaptophenyl)methylamino]-2-methyl-2-butanol IUPAC Name: 3-(4-isothiocyanatophenyl)-2-methyl-1,3-bis[(2-sulfanylphenyl)methylamino]butan-2-ol Traditional Name: 3-(4-isothiocyanatophenyl)-1,3-bis[(2-mercaptobenzyl)amino]-2-methyl-butan-2-ol Formula: C26H29N3OS3 MolecularWeight: 495.72296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=CC=CC=C1S)(C(C)(C2=CC=C(C=C2)N=C=S)NCC3=CC=CC=C3S)O

Isomeric SMILES

CC(CNCC1=CC=CC=C1S)(C(C)(C2=CC=C(C=C2)N=C=S)NCC3=CC=CC=C3S)O

InChI

InChI=1S/C26H29N3OS3/c1-25(30,17-27-15-19-7-3-5-9-23(19)32)26(2,21-11-13-22(14-12-21)28-18-31)29-16-20-8-4-6-10-24(20)33/h3-14,27,29-30,32-33H,15-17H2,1-2H3