4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dichlorophenyl)sulfonyl-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C21H19Cl2N3O4S2 MolecularWeight: 512.42926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N3O4S2/c1-13-10-20(27)30-18-12-15(3-4-16(13)18)24-21(31)25-6-8-26(9-7-25)32(28,29)19-11-14(22)2-5-17(19)23/h2-5,10-12H,6-9H2,1H3,(H,24,31)