[5-[(2-chloranyl-4-nitro-phenyl)carbothioylamino]-2-methoxy-phenyl] 2-chloranyl-N-(4-methoxyphenyl)-4-nitro-benzenecarboximidothioate

Systemtic Name: [5-[(2-chloranyl-4-nitro-phenyl)carbothioylamino]-2-methoxy-phenyl] 2-chloranyl-N-(4-methoxyphenyl)-4-nitro-benzenecarboximidothioate Openeye Name: [5-[(2-chloro-4-nitro-benzenecarbothioyl)amino]-2-methoxy-phenyl] 2-chloro-N-(4-methoxyphenyl)-4-nitro-benzenecarboximidothioate CAS Name: 2-chloro-N-(4-methoxyphenyl)-4-nitrobenzenecarboximidothioic acid [5-[[(2-chloro-4-nitrophenyl)-sulfanylidenemethyl]amino]-2-methoxyphenyl] ester IUPAC Name: [5-[(2-chloro-4-nitrobenzenecarbothioyl)amino]-2-methoxyphenyl] 2-chloro-N-(4-methoxyphenyl)-4-nitrobenzenecarboximidothioate Traditional Name: 2-chloro-N-(4-methoxyphenyl)-4-nitro-benzenecarboximidothioic acid [5-[(2-chloro-4-nitro-thiobenzoyl)amino]-2-methoxy-phenyl] ester Formula: C28H20Cl2N4O6S2 MolecularWeight: 643.5176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SC3=C(C=CC(=C3)NC(=S)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)N=C(C2=C(C=C(C=C2)[N+](=O)[O-])Cl)SC3=C(C=CC(=C3)NC(=S)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C28H20Cl2N4O6S2/c1-39-20-8-3-16(4-9-20)32-28(22-11-7-19(34(37)38)15-24(22)30)42-26-13-17(5-12-25(26)40-2)31-27(41)21-10-6-18(33(35)36)14-23(21)29/h3-15H,1-2H3,(H,31,41)