N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C23H18N4O4S2 MolecularWeight: 478.54342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O4S2/c1-13-15(22-24-17-7-3-4-9-20(17)33-22)6-5-8-16(13)25-23(32)26-21(28)14-10-11-19(31-2)18(12-14)27(29)30/h3-12H,1-2H3,(H2,25,26,28,32)