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

Systemtic Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[3-(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=CC=C1NC(=O)NSC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NSC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

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