3-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(5-chloranyl-2-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(5-chloro-2-methyl-phenyl)carbamothioyl-(2-furylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(5-chloro-2-methylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(5-chloro-2-methyl-phenyl)thiocarbamoyl-(2-furfuryl)amino]propyl-diethyl-ammonium Formula: C20H29ClN3OS+ MolecularWeight: 394.98176

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC=CO1)C(=S)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC=CO1)C(=S)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C20H28ClN3OS/c1-4-23(5-2)11-7-12-24(15-18-8-6-13-25-18)20(26)22-19-14-17(21)10-9-16(19)3/h6,8-10,13-14H,4-5,7,11-12,15H2,1-3H3,(H,22,26)/p+1