7-chloranyl-N-[(4-methylphenyl)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide

Systemtic Name: 7-chloranyl-N-[(4-methylphenyl)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Openeye Name: 7-chloro-N-(p-tolylcarbamothioyl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide CAS Name: 7-chloro-N-[(4-methylanilino)-sulfanylidenemethyl]-6-thieno[2,3-f][1,3]benzodioxolecarboxamide IUPAC Name: 7-chloro-N-[(4-methylphenyl)carbamothioyl]thieno[2,3-f][1,3]benzodioxole-6-carboxamide Traditional Name: 7-chloro-N-(p-tolylthiocarbamoyl)thieno[2,3-f][1,3]benzodioxole-6-carboxamide Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC4=C(C=C3S2)OCO4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC4=C(C=C3S2)OCO4)Cl

InChI

InChI=1S/C18H13ClN2O3S2/c1-9-2-4-10(5-3-9)20-18(25)21-17(22)16-15(19)11-6-12-13(24-8-23-12)7-14(11)26-16/h2-7H,8H2,1H3,(H2,20,21,22,25)