N-[(2-cyanophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C21H17N3O2S MolecularWeight: 375.44358

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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=C3C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C21H17N3O2S/c1-13-7-8-15(11-14(13)2)18-9-10-19(26-18)20(25)24-21(27)23-17-6-4-3-5-16(17)12-22/h3-11H,1-2H3,(H2,23,24,25,27)