5-(3-chloranyl-4-methyl-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)-2-furamide Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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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=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C21H17ClN2O4S/c1-12-2-3-13(10-15(12)22)16-6-7-18(28-16)20(25)24-21(29)23-14-4-5-17-19(11-14)27-9-8-26-17/h2-7,10-11H,8-9H2,1H3,(H2,23,24,25,29)