[(2R)-1-[(3-carbamothioylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dipropyl-azanium

Systemtic Name: [(2R)-1-[(3-carbamothioylphenyl)amino]-1-oxidanylidene-propan-2-yl]-dipropyl-azanium Openeye Name: [(1R)-2-(3-carbamothioylanilino)-1-methyl-2-oxo-ethyl]-dipropyl-ammonium CAS Name: [(2R)-1-(3-carbamothioylanilino)-1-oxopropan-2-yl]-dipropylammonium IUPAC Name: [(2R)-1-(3-carbamothioylanilino)-1-oxopropan-2-yl]-dipropylazanium Traditional Name: [(1R)-2-keto-1-methyl-2-(3-thiocarbamoylanilino)ethyl]-dipropyl-ammonium Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C)C(=O)NC1=CC=CC(=C1)C(=S)N

Isomeric SMILES

CCC[NH+](CCC)[C@H](C)C(=O)NC1=CC=CC(=C1)C(=S)N

InChI

InChI=1S/C16H25N3OS/c1-4-9-19(10-5-2)12(3)16(20)18-14-8-6-7-13(11-14)15(17)21/h6-8,11-12H,4-5,9-10H2,1-3H3,(H2,17,21)(H,18,20)/p+1/t12-/m1/s1