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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C27H21N3O2S2 MolecularWeight: 483.60454

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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=CC=CC(=C3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O2S2/c1-16-10-11-18(14-17(16)2)22-12-13-23(32-22)25(31)30-27(33)28-20-7-5-6-19(15-20)26-29-21-8-3-4-9-24(21)34-26/h3-15H,1-2H3,(H2,28,30,31,33)