2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(3-methyl-2-methylsulfanyl-imidazol-4-yl)carbonylamino]carbamate

Systemtic Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(3-methyl-2-methylsulfanyl-imidazol-4-yl)carbonylamino]carbamate Openeye Name: 2-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(3-methyl-2-methylsulfanyl-imidazole-4-carbonyl)amino]carbamate CAS Name: N-[[[3-methyl-2-(methylthio)-4-imidazolyl]-oxomethyl]amino]carbamic acid 2-[4-(2-benzofuranylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(3-methyl-2-methylsulfanylimidazole-4-carbonyl)amino]carbamate Traditional Name: N-[[3-methyl-2-(methylthio)imidazole-4-carbonyl]amino]carbamic acid 2-[4-(benzofuran-2-ylmethyl)piperazino]ethyl ester Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC)C(=O)NNC(=O)OCCN2CCN(CC2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=CN=C1SC)C(=O)NNC(=O)OCCN2CCN(CC2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H28N6O4S/c1-26-18(14-23-21(26)33-2)20(29)24-25-22(30)31-12-11-27-7-9-28(10-8-27)15-17-13-16-5-3-4-6-19(16)32-17/h3-6,13-14H,7-12,15H2,1-2H3,(H,24,29)(H,25,30)