N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H20N4O2S/c1-14-12-19(25)26-17-13-15(5-6-16(14)17)22-20(27)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3,(H,22,27)/p+1