4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methyl-2-oxo-chromen-7-yl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methyl-2-oxochromen-7-yl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C23H24N3O4S+ MolecularWeight: 438.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4S/c1-15-10-22(27)30-20-12-17(3-4-18(15)20)24-23(31)26-8-6-25(7-9-26)13-16-2-5-19-21(11-16)29-14-28-19/h2-5,10-12H,6-9,13-14H2,1H3,(H,24,31)/p+1