3-[(4-ethoxyphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethoxyphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(4-ethoxyphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxyanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(4-ethoxyphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl(p-phenetylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H29N3OS/c1-4-25-20-13-11-19(12-14-20)22-21(26)24(16-8-15-23(2)3)17-18-9-6-5-7-10-18/h5-7,9-14H,4,8,15-17H2,1-3H3,(H,22,26)/p+1