[5-[[(4-ethoxyphenyl)carbamothioylamino]carbamoyl]furan-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[[(4-ethoxyphenyl)carbamothioylamino]carbamoyl]furan-2-yl]methyl-dimethyl-azanium Openeye Name: [5-[[(4-ethoxyphenyl)carbamothioylamino]carbamoyl]-2-furyl]methyl-dimethyl-ammonium CAS Name: [5-[[[(4-ethoxyanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]-2-furanyl]methyl-dimethylammonium IUPAC Name: [5-[[(4-ethoxyphenyl)carbamothioylamino]carbamoyl]furan-2-yl]methyl-dimethylazanium Traditional Name: dimethyl-[[5-[(p-phenetylthiocarbamoylamino)carbamoyl]-2-furyl]methyl]ammonium Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(O2)C[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(O2)C[NH+](C)C

InChI

InChI=1S/C17H22N4O3S/c1-4-23-13-7-5-12(6-8-13)18-17(25)20-19-16(22)15-10-9-14(24-15)11-21(2)3/h5-10H,4,11H2,1-3H3,(H,19,22)(H2,18,20,25)/p+1