N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-4-morpholin-4-ylsulfonyl-benzamide hydrochloride

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-4-morpholin-4-ylsulfonyl-benzamide hydrochloride Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-4-morpholinosulfonyl-benzamide hydrochloride CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide hydrochloride IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-4-morpholin-4-ylsulfonylbenzamide hydrochloride Traditional Name: 4-morpholinosulfonyl-N-(4-piperonylpiperazine-1-carbothioyl)benzamide hydrochloride Formula: C24H29ClN4O6S2 MolecularWeight: 569.09326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5.Cl

InChI

InChI=1S/C24H28N4O6S2.ClH/c29-23(19-2-4-20(5-3-19)36(30,31)28-11-13-32-14-12-28)25-24(35)27-9-7-26(8-10-27)16-18-1-6-21-22(15-18)34-17-33-21;/h1-6,15H,7-14,16-17H2,(H,25,29,35);1H