3-[[4-[(2S)-butan-2-yl]phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(2S)-butan-2-yl]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: dimethyl-[3-[[4-[(1S)-1-methylpropyl]phenyl]carbamothioylamino]propyl]ammonium CAS Name: 3-[[[4-[(2S)-butan-2-yl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(2S)-butan-2-yl]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[4-[(1S)-1-methylpropyl]phenyl]thiocarbamoylamino]propyl]ammonium Formula: C16H28N3S+ MolecularWeight: 294.47862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3S/c1-5-13(2)14-7-9-15(10-8-14)18-16(20)17-11-6-12-19(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H2,17,18,20)/p+1/t13-/m0/s1