3-[[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[benzyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C24H30N4O2S/c1-27(2)13-7-12-25-24(31)28(16-18-8-5-4-6-9-18)17-20-14-19-10-11-21(30-3)15-22(19)26-23(20)29/h4-6,8-11,14-15H,7,12-13,16-17H2,1-3H3,(H,25,31)(H,26,29)/p+1