[[(4-methoxycarbonylphenyl)carbamothioylamino]-phenyl-methylidene]-(phenylsulfonylmethyl)azanium

Systemtic Name: [[(4-methoxycarbonylphenyl)carbamothioylamino]-phenyl-methylidene]-(phenylsulfonylmethyl)azanium Openeye Name: benzenesulfonylmethyl-[[(4-methoxycarbonylphenyl)carbamothioylamino]-phenyl-methylene]ammonium CAS Name: benzenesulfonylmethyl-[[[(4-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-phenylmethylidene]ammonium IUPAC Name: benzenesulfonylmethyl-[[(4-methoxycarbonylphenyl)carbamothioylamino]-phenylmethylidene]azanium Traditional Name: besylmethyl-[[(4-carbomethoxyphenyl)thiocarbamoylamino]-phenyl-methylene]ammonium Formula: C23H22N3O4S2+ MolecularWeight: 468.56848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=[NH+]CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=[NH+]CS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4S2/c1-30-22(27)18-12-14-19(15-13-18)25-23(31)26-21(17-8-4-2-5-9-17)24-16-32(28,29)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H2,24,25,26,31)/p+1