N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C24H20N4O5S2 MolecularWeight: 508.5694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S2/c1-3-33-20-11-8-14(13-18(20)28(30)31)22(29)27-24(34)26-17-12-15(9-10-19(17)32-2)23-25-16-6-4-5-7-21(16)35-23/h4-13H,3H2,1-2H3,(H2,26,27,29,34)