4-[(3-chlorophenyl)methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-15-11-21(27)28-20-13-18(5-6-19(15)20)24-22(29)26-9-7-25(8-10-26)14-16-3-2-4-17(23)12-16/h2-6,11-13H,7-10,14H2,1H3,(H,24,29)