S-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate

Systemtic Name: S-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] ester Formula: C23H18N4O5S2 MolecularWeight: 494.54282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)NSC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)NSC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5S2/c1-13-7-8-14(21-24-16-5-3-4-6-20(16)33-21)11-17(13)25-23(29)26-34-22(28)15-9-10-19(32-2)18(12-15)27(30)31/h3-12H,1-2H3,(H2,25,26,29)