3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N,N-diethyl-benzamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N,N-diethyl-benzamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N,N-diethyl-benzamide CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N,N-diethylbenzamide Traditional Name: N,N-diethyl-3-(piperonylthiocarbamoylamino)benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23N3O3S/c1-3-23(4-2)19(24)15-6-5-7-16(11-15)22-20(27)21-12-14-8-9-17-18(10-14)26-13-25-17/h5-11H,3-4,12-13H2,1-2H3,(H2,21,22,27)