tert-butyl 2-(phenylcarbamothioylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: tert-butyl 2-(phenylcarbamothioylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: tert-butyl 6-benzyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-benzyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-(phenylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-26(2,3)31-24(30)22-20-14-15-29(16-18-10-6-4-7-11-18)17-21(20)33-23(22)28-25(32)27-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H2,27,28,32)