N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]-piperonylamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-4-23(5-2)15-7-8-16(13(3)10-15)21-20(27)22-19(24)14-6-9-17-18(11-14)26-12-25-17/h6-11H,4-5,12H2,1-3H3,(H2,21,22,24,27)