methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(1-methyl-2-benzimidazolyl)-1-piperazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

InChI

InChI=1S/C23H27N5O3S/c1-26-17-9-5-4-8-16(17)24-22(26)27-11-13-28(14-12-27)23(30)25-20-19(21(29)31-2)15-7-3-6-10-18(15)32-20/h4-5,8-9H,3,6-7,10-14H2,1-2H3,(H,25,30)