3-[[4-(1-adamantyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(1-adamantyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(1-adamantyl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(1-adamantyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(1-adamantyl)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(1-adamantyl)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C22H34N3S+ MolecularWeight: 372.59046

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33N3S/c1-25(2)9-3-8-23-21(26)24-20-6-4-19(5-7-20)22-13-16-10-17(14-22)12-18(11-16)15-22/h4-7,16-18H,3,8-15H2,1-2H3,(H2,23,24,26)/p+1