3-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamothioyl-(2-furylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(4-chloro-2-methoxy-5-methylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(4-chloro-2-methoxy-5-methyl-phenyl)thiocarbamoyl-(2-furfuryl)amino]propyl-diethyl-ammonium Formula: C21H31ClN3O2S+ MolecularWeight: 425.00774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN3O2S/c1-5-24(6-2)10-8-11-25(15-17-9-7-12-27-17)21(28)23-19-13-16(3)18(22)14-20(19)26-4/h7,9,12-14H,5-6,8,10-11,15H2,1-4H3,(H,23,28)/p+1