N-[[4-[(dibutylamino)methyl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-[(dibutylamino)methyl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[(dibutylamino)methyl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[(dibutylamino)methyl]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[(dibutylamino)methyl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[(dibutylamino)methyl]phenyl]thiocarbamoyl]-piperonylamide Formula: C24H31N3O3S MolecularWeight: 441.58624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(CCCC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H31N3O3S/c1-3-5-13-27(14-6-4-2)16-18-7-10-20(11-8-18)25-24(31)26-23(28)19-9-12-21-22(15-19)30-17-29-21/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H2,25,26,28,31)