3-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H28N3S2+ MolecularWeight: 362.57572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C19H27N3S2/c1-4-15-8-10-16(11-9-15)18(17-7-5-14-24-17)21-19(23)20-12-6-13-22(2)3/h5,7-11,14,18H,4,6,12-13H2,1-3H3,(H2,20,21,23)/p+1/t18-/m1/s1