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

Systemtic Name: N-[(4-pentan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(1-methylbutyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-pentan-2-ylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-pentan-2-ylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(1-methylbutyl)phenyl]thiocarbamoyl]-piperonylamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-3-4-13(2)14-5-8-16(9-6-14)21-20(26)22-19(23)15-7-10-17-18(11-15)25-12-24-17/h5-11,13H,3-4,12H2,1-2H3,(H2,21,22,23,26)