methyl 2-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzyl-4-piperidyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpiperidin-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-benzyl-4-piperidyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S2/c1-28-22(27)20-18-9-5-6-10-19(18)30-21(20)25-23(29)24-17-11-13-26(14-12-17)15-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H2,24,25,29)