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

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-oxo-chromen-7-yl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-(2-keto-4-methyl-chromen-7-yl)piperazine-1-carbothioamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S2/c1-17-15-23(29)32-22-16-19(7-10-21(17)22)26-24(33)27-11-13-28(14-12-27)34(30,31)20-8-5-18(6-9-20)25(2,3)4/h5-10,15-16H,11-14H2,1-4H3,(H,26,33)