dimethyl-[3-[[(R)-(4-methylphenyl)-phenyl-methyl]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(R)-(4-methylphenyl)-phenyl-methyl]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(R)-phenyl(p-tolyl)methyl]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[(R)-(4-methylphenyl)-phenylmethyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(R)-(4-methylphenyl)-phenylmethyl]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[(R)-phenyl(p-tolyl)methyl]thiocarbamoylamino]propyl]ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H27N3S/c1-16-10-12-18(13-11-16)19(17-8-5-4-6-9-17)22-20(24)21-14-7-15-23(2)3/h4-6,8-13,19H,7,14-15H2,1-3H3,(H2,21,22,24)/p+1/t19-/m1/s1