4-(5-chloranyl-2-methyl-phenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-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=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C22H22ClN3O2S/c1-14-3-4-16(23)12-19(14)25-7-9-26(10-8-25)22(29)24-17-5-6-18-15(2)11-21(27)28-20(18)13-17/h3-6,11-13H,7-10H2,1-2H3,(H,24,29)