N-[(4-butan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-sec-butylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-sec-butylphenyl)thiocarbamoyl]-piperonylamide Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O3S/c1-3-12(2)13-4-7-15(8-5-13)20-19(25)21-18(22)14-6-9-16-17(10-14)24-11-23-16/h4-10,12H,3,11H2,1-2H3,(H2,20,21,22,25)