3-methyl-6-[4-(phenylmethyl)piperidin-1-yl]carbothioyl-1,3-benzoxazol-2-one

Systemtic Name: 3-methyl-6-[4-(phenylmethyl)piperidin-1-yl]carbothioyl-1,3-benzoxazol-2-one Openeye Name: 6-(4-benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzoxazol-2-one CAS Name: 3-methyl-6-[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(4-benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzoxazol-2-one Traditional Name: 6-(4-benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzoxazol-2-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C21H22N2O2S/c1-22-18-8-7-17(14-19(18)25-21(22)24)20(26)23-11-9-16(10-12-23)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3