[(1R)-2-[(4-butylphenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(4-butylphenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(4-butylphenyl)carbamothioylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(4-butylphenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(4-butylphenyl)thiocarbamoylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CO2)[NH+](C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CO2)[NH+](C)C

InChI

InChI=1S/C19H27N3OS/c1-4-5-7-15-9-11-16(12-10-15)21-19(24)20-14-17(22(2)3)18-8-6-13-23-18/h6,8-13,17H,4-5,7,14H2,1-3H3,(H2,20,21,24)/p+1/t17-/m1/s1