4-[(2-chlorophenyl)methyl]-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chlorophenyl)methyl]-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide Openeye Name: 4-[(2-chlorophenyl)methyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)methyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chlorophenyl)methyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzyl)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperazine-1-carbothioamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)N3CCN(CC3)CC4=CC=CC=C4Cl)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)N3CCN(CC3)CC4=CC=CC=C4Cl)CC2OC(=C1)O

InChI

InChI=1S/C22H26ClN3O2S/c1-15-12-21(27)28-20-13-17(6-7-18(15)20)24-22(29)26-10-8-25(9-11-26)14-16-4-2-3-5-19(16)23/h2-5,12,20,27H,6-11,13-14H2,1H3