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

Systemtic Name: N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-[hydroxy(diphenyl)methyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperidine-1-carbothioamide CAS Name: 4-[hydroxy(diphenyl)methyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-1-piperidinecarbothioamide IUPAC Name: 4-[hydroxy(diphenyl)methyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperidine-1-carbothioamide Traditional Name: 4-[hydroxy(diphenyl)methyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)piperidine-1-carbothioamide Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)CC2OC(=C1)O

InChI

InChI=1S/C29H32N2O3S/c1-20-18-27(32)34-26-19-24(12-13-25(20)26)30-28(35)31-16-14-23(15-17-31)29(33,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18,23,26,32-33H,12-17,19H2,1H3