tert-butyl-[3-[(3,4-dimethylphenyl)carbamothioylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[(3,4-dimethylphenyl)carbamothioylamino]propyl]azanium Openeye Name: tert-butyl-[3-[(3,4-dimethylphenyl)carbamothioylamino]propyl]ammonium CAS Name: tert-butyl-[3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[(3,4-dimethylphenyl)carbamothioylamino]propyl]azanium Traditional Name: tert-butyl-[3-[(3,4-dimethylphenyl)thiocarbamoylamino]propyl]ammonium Formula: C16H28N3S+ MolecularWeight: 294.47862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC[NH2+]C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC[NH2+]C(C)(C)C)C

InChI

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