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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C24H20N4O4S2 MolecularWeight: 492.57

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S2/c1-3-32-20-12-11-15(13-19(20)28(30)31)22(29)27-24(33)26-17-9-6-7-16(14(17)2)23-25-18-8-4-5-10-21(18)34-23/h4-13H,3H2,1-2H3,(H2,26,27,29,33)