N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C27H20IN3O2S2 MolecularWeight: 609.50107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C27H20IN3O2S2/c1-15-7-8-17(13-16(15)2)22-11-12-23(33-22)25(32)31-27(34)30-20-10-9-18(28)14-19(20)26-29-21-5-3-4-6-24(21)35-26/h3-14H,1-2H3,(H2,30,31,32,34)