3-[(4-tert-butylphenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-tert-butylphenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-tert-butylphenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-tert-butylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-tert-butylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(4-tert-butylphenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H28N3S+ MolecularWeight: 294.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H27N3S/c1-16(2,3)13-7-9-14(10-8-13)18-15(20)17-11-6-12-19(4)5/h7-10H,6,11-12H2,1-5H3,(H2,17,18,20)/p+1