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

Systemtic Name: methyl 2-[[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(1-ethyl-2-benzimidazolyl)-1-piperazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC

InChI

InChI=1S/C24H29N5O3S/c1-3-29-18-10-6-5-9-17(18)25-23(29)27-12-14-28(15-13-27)24(31)26-21-20(22(30)32-2)16-8-4-7-11-19(16)33-21/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3,(H,26,31)