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

Systemtic Name: 4-(3-chlorophenyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S/c1-14-11-20(26)27-19-13-16(5-6-18(14)19)23-21(28)25-9-7-24(8-10-25)17-4-2-3-15(22)12-17/h2-6,11-13H,7-10H2,1H3,(H,23,28)