5-(3,4-dimethylphenyl)-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-furamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H19N3O2S2/c1-12-4-7-16-19(10-12)29-22(23-16)25-21(28)24-20(26)18-9-8-17(27-18)15-6-5-13(2)14(3)11-15/h4-11H,1-3H3,(H2,23,24,25,26,28)