2-[azanyl(phenethyl)amino]-N-(3-cyanophenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-carbothioamide

Systemtic Name: 2-[azanyl(phenethyl)amino]-N-(3-cyanophenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-carbothioamide Openeye Name: 2-[amino(phenethyl)amino]-N-(3-cyanophenyl)-4,5-dihydrothiazol-3-ium-3-carbothioamide CAS Name: 2-[amino(phenethyl)amino]-N-(3-cyanophenyl)-4,5-dihydrothiazol-3-ium-3-carbothioamide IUPAC Name: 2-[amino(phenethyl)amino]-N-(3-cyanophenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-carbothioamide Traditional Name: 2-[amino(phenethyl)amino]-N-(3-cyanophenyl)-2-thiazolin-3-ium-3-carbothioamide Formula: C19H20N5S2+ MolecularWeight: 382.5256

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[N+]1C(=S)NC2=CC=CC(=C2)C#N)N(CCC3=CC=CC=C3)N

Isomeric SMILES

C1CSC(=[N+]1C(=S)NC2=CC=CC(=C2)C#N)N(CCC3=CC=CC=C3)N

InChI

InChI=1S/C19H19N5S2/c20-14-16-7-4-8-17(13-16)22-18(25)23-11-12-26-19(23)24(21)10-9-15-5-2-1-3-6-15/h1-8,13H,9-12,21H2/p+1