diethyl-[3-[furan-2-ylmethyl-[(4-methoxyphenyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[furan-2-ylmethyl-[(4-methoxyphenyl)carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[2-furylmethyl-[(4-methoxyphenyl)carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[2-furanylmethyl-[(4-methoxyanilino)-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[furan-2-ylmethyl-[(4-methoxyphenyl)carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[2-furfuryl-[(4-methoxyphenyl)thiocarbamoyl]amino]propyl]ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-4-22(5-2)13-7-14-23(16-19-8-6-15-25-19)20(26)21-17-9-11-18(24-3)12-10-17/h6,8-12,15H,4-5,7,13-14,16H2,1-3H3,(H,21,26)/p+1