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

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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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=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S2/c1-14-12-20(26)29-19-13-16(4-7-18(14)19)23-21(30)24-8-10-25(11-9-24)31(27,28)17-5-2-15(22)3-6-17/h2-7,12-13H,8-11H2,1H3,(H,23,30)