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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C23H17ClN4O4S2 MolecularWeight: 512.98848

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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=CC=CC=C4S3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O4S2/c1-2-32-19-10-7-13(11-18(19)28(30)31)21(29)27-23(33)25-14-8-9-15(16(24)12-14)22-26-17-5-3-4-6-20(17)34-22/h3-12H,2H2,1H3,(H2,25,27,29,33)