4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-[(2,6-dichlorophenyl)methyl]-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-[(2,6-dichlorophenyl)methyl]-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2,6-dichlorophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-dichlorobenzyl)-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C22H21Cl2N3O2S MolecularWeight: 462.39204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O2S/c1-14-11-21(28)29-20-12-15(5-6-16(14)20)25-22(30)27-9-7-26(8-10-27)13-17-18(23)3-2-4-19(17)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,30)