2-[[3-chloranyl-4-[(R)-cyano(phenyl)methyl]phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[(R)-cyano(phenyl)methyl]phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[(R)-cyano(phenyl)methyl]anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[(R)-cyano(phenyl)methyl]phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C19H22ClN4S+ MolecularWeight: 373.92278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC(=C(C=C1)C(C#N)C2=CC=CC=C2)Cl

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC(=C(C=C1)[C@H](C#N)C2=CC=CC=C2)Cl

InChI

InChI=1S/C19H21ClN4S/c1-24(2)11-10-22-19(25)23-15-8-9-16(18(20)12-15)17(13-21)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3,(H2,22,23,25)/p+1/t17-/m1/s1