N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-[(1S)-1-methylpropyl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-[(2S)-butan-2-yl]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-[(1S)-1-methylpropyl]phenyl]thiocarbamoyl]-piperonylamide Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O3S/c1-3-12(2)14-6-4-5-7-15(14)20-19(25)21-18(22)13-8-9-16-17(10-13)24-11-23-16/h4-10,12H,3,11H2,1-2H3,(H2,20,21,22,25)/t12-/m0/s1