[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C25H34N3O4S2+ MolecularWeight: 504.68516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CC2OC(=C1)O

InChI

InChI=1S/C25H33N3O4S2/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/h5-6,8-9,15,22,29H,7,10-14,16H2,1-4H3/p+1