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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-chloro-4-ethoxy-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-chloro-4-ethoxybenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-chloro-4-ethoxy-benzamide Formula: C23H18ClN3O2S2 MolecularWeight: 467.99092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H18ClN3O2S2/c1-2-29-19-11-10-14(13-17(19)24)21(28)27-23(30)25-16-7-5-6-15(12-16)22-26-18-8-3-4-9-20(18)31-22/h3-13H,2H2,1H3,(H2,25,27,28,30)