4-ethoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-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=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

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