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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C22H15ClIN3OS2 MolecularWeight: 563.86147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H15ClIN3OS2/c1-12-6-7-13(10-16(12)23)20(28)27-22(29)26-17-9-8-14(24)11-15(17)21-25-18-4-2-3-5-19(18)30-21/h2-11H,1H3,(H2,26,27,28,29)