[(4S)-4-[(2-carbamothioylphenyl)amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(2-carbamothioylphenyl)amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-(2-carbamothioylanilino)pentyl]-diethyl-ammonium CAS Name: [(4S)-4-(2-carbamothioylanilino)pentyl]-diethylammonium IUPAC Name: [(4S)-4-(2-carbamothioylanilino)pentyl]-diethylazanium Traditional Name: diethyl-[(4S)-4-(2-thiocarbamoylanilino)pentyl]ammonium Formula: C16H28N3S+ MolecularWeight: 294.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC1=CC=CC=C1C(=S)N

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC1=CC=CC=C1C(=S)N

InChI

InChI=1S/C16H27N3S/c1-4-19(5-2)12-8-9-13(3)18-15-11-7-6-10-14(15)16(17)20/h6-7,10-11,13,18H,4-5,8-9,12H2,1-3H3,(H2,17,20)/p+1/t13-/m0/s1