N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide Openeye Name: N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide CAS Name: N-(2,6-diethylphenyl)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide Traditional Name: N-(2,6-diethylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N4O3S/c1-3-16-7-5-8-17(4-2)21(16)25-22(28)26-11-6-12-27(26)23(31)24-18-9-10-19-20(15-18)30-14-13-29-19/h5,7-10,15H,3-4,6,11-14H2,1-2H3,(H,24,31)(H,25,28)