N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-[oxidanyl(diphenyl)methyl]piperidine-1-carbothioamide Openeye Name: 4-[hydroxy(diphenyl)methyl]-N-(4-methyl-2-oxo-chromen-7-yl)piperidine-1-carbothioamide CAS Name: 4-[hydroxy(diphenyl)methyl]-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperidinecarbothioamide IUPAC Name: 4-[hydroxy(diphenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carbothioamide Traditional Name: 4-[hydroxy(diphenyl)methyl]-N-(2-keto-4-methyl-chromen-7-yl)piperidine-1-carbothioamide Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C29H28N2O3S/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/h2-13,18-19,23,33H,14-17H2,1H3,(H,30,35)