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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethyl-azanium Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)carbamothioyl-(2-furylmethyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl-diethylammonium IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl-diethylazanium Traditional Name: 3-[(5-chloro-2-methoxy-phenyl)thiocarbamoyl-(2-furfuryl)amino]propyl-diethyl-ammonium Formula: C20H29ClN3O2S+ MolecularWeight: 410.98116

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O2S/c1-4-23(5-2)11-7-12-24(15-17-8-6-13-26-17)20(27)22-18-14-16(21)9-10-19(18)25-3/h6,8-10,13-14H,4-5,7,11-12,15H2,1-3H3,(H,22,27)/p+1