bis[2-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]-[(2-hydroxyphenyl)methyl]azanium

Systemtic Name: bis[2-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]-[(2-hydroxyphenyl)methyl]azanium Openeye Name: bis[2-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]-[(2-hydroxyphenyl)methyl]ammonium CAS Name: bis[2-[[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]ethyl]-[(2-hydroxyphenyl)methyl]ammonium IUPAC Name: bis[2-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]-[(2-hydroxyphenyl)methyl]azanium Traditional Name: bis[2-[(2,4-dimethylphenyl)thiocarbamoylamino]ethyl]-salicyl-ammonium Formula: C29H38N5OS2+ MolecularWeight: 536.77492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NCC[NH+](CCNC(=S)NC2=C(C=C(C=C2)C)C)CC3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NCC[NH+](CCNC(=S)NC2=C(C=C(C=C2)C)C)CC3=CC=CC=C3O)C

InChI

InChI=1S/C29H37N5OS2/c1-20-9-11-25(22(3)17-20)32-28(36)30-13-15-34(19-24-7-5-6-8-27(24)35)16-14-31-29(37)33-26-12-10-21(2)18-23(26)4/h5-12,17-18,35H,13-16,19H2,1-4H3,(H2,30,32,36)(H2,31,33,37)/p+1