N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-5-(3,4-dimethylphenyl)-2-furamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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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=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H17N3O2S2/c1-12-7-8-14(11-13(12)2)16-9-10-17(26-16)19(25)23-20(27)24-21-22-15-5-3-4-6-18(15)28-21/h3-11H,1-2H3,(H2,22,23,24,25,27)