N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-piperonylamide Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N4O3S/c1-13-6-7-14(21-24-16-4-2-3-5-17(16)25-21)10-18(13)26-23(31)27-22(28)15-8-9-19-20(11-15)30-12-29-19/h2-11H,12H2,1H3,(H,24,25)(H2,26,27,28,31)