S-[2-[[4-(2-methanoylhydrazinyl)-3-(2-methylisoquinolin-2-ium-4-yl)sulfanyl-phenyl]amino]-2-oxidanylidene-ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[4-(2-methanoylhydrazinyl)-3-(2-methylisoquinolin-2-ium-4-yl)sulfanyl-phenyl]amino]-2-oxidanylidene-ethyl] benzenecarbothioate Openeye Name: S-[2-[4-(2-formylhydrazino)-3-(2-methylisoquinolin-2-ium-4-yl)sulfanyl-anilino]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[4-(formylhydrazo)-3-[(2-methyl-4-isoquinolin-2-iumyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(2-formylhydrazinyl)-3-(2-methylisoquinolin-2-ium-4-yl)sulfanylanilino]-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[4-(N'-formylhydrazino)-3-[(2-methylisoquinolin-2-ium-4-yl)thio]anilino]-2-keto-ethyl] ester Formula: C26H23N4O3S2+ MolecularWeight: 503.61582

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(=C1)SC3=C(C=CC(=C3)NC(=O)CSC(=O)C4=CC=CC=C4)NNC=O

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C(=C1)SC3=C(C=CC(=C3)NC(=O)CSC(=O)C4=CC=CC=C4)NNC=O

InChI

InChI=1S/C26H22N4O3S2/c1-30-14-19-9-5-6-10-21(19)24(15-30)35-23-13-20(11-12-22(23)29-27-17-31)28-25(32)16-34-26(33)18-7-3-2-4-8-18/h2-15,17,29H,16H2,1H3,(H-,27,28,31,32)/p+1