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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-5-(3-chloranyl-4-methyl-phenyl)furan-2-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-5-(3-chloro-4-methyl-phenyl)furan-2-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-5-(3-chloro-4-methylphenyl)-2-furancarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-5-(3-chloro-4-methyl-phenyl)-2-furamide Formula: C26H17ClIN3O2S2 MolecularWeight: 629.91955

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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)Cl

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)Cl

InChI

InChI=1S/C26H17ClIN3O2S2/c1-14-6-7-15(12-18(14)27)21-10-11-22(33-21)24(32)31-26(34)30-19-9-8-16(28)13-17(19)25-29-20-4-2-3-5-23(20)35-25/h2-13H,1H3,(H2,30,31,32,34)