4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide Openeye Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide CAS Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(2-nitrophenyl)piperidine-1-carbothioamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C(=S)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C(=S)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3S/c1-25-11-10-18-6-7-20(14-19(18)15-25)30-16-17-8-12-26(13-9-17)23(31)24-21-4-2-3-5-22(21)27(28)29/h2-7,14,17H,8-13,15-16H2,1H3,(H,24,31)