diethyl-[(1R)-2-[(3-methylphenyl)carbamothioylamino]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1R)-2-[(3-methylphenyl)carbamothioylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1R)-2-(m-tolylcarbamothioylamino)-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1R)-2-[[(3-methylanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1R)-2-[(3-methylphenyl)carbamothioylamino]-1-phenylethyl]azanium Traditional Name: diethyl-[(1R)-2-(m-tolylthiocarbamoylamino)-1-phenyl-ethyl]ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NC1=CC=CC(=C1)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@@H](CNC(=S)NC1=CC=CC(=C1)C)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3S/c1-4-23(5-2)19(17-11-7-6-8-12-17)15-21-20(24)22-18-13-9-10-16(3)14-18/h6-14,19H,4-5,15H2,1-3H3,(H2,21,22,24)/p+1/t19-/m0/s1