N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioyl-4-(diethylamino)benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioyl-4-(diethylamino)benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]-4-(diethylamino)benzamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-4-(diethylamino)benzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]-4-(diethylamino)benzamide Traditional Name: 4-(diethylamino)-N-(4-piperonylpiperazin-4-ium-1-carbothioyl)benzamide Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H30N4O3S/c1-3-27(4-2)20-8-6-19(7-9-20)23(29)25-24(32)28-13-11-26(12-14-28)16-18-5-10-21-22(15-18)31-17-30-21/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,25,29,32)/p+1