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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C23H18IN3OS2 MolecularWeight: 543.44299

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H18IN3OS2/c1-13-7-8-15(11-14(13)2)21(28)27-23(29)26-18-10-9-16(24)12-17(18)22-25-19-5-3-4-6-20(19)30-22/h3-12H,1-2H3,(H2,26,27,28,29)