ethyl 2-[[5-azanyl-2-(4-ethylpiperazin-1-yl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-azanyl-2-(4-ethylpiperazin-1-yl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-amino-2-(4-ethylpiperazin-1-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-amino-2-(4-ethyl-1-piperazinyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-amino-2-(4-ethylpiperazin-1-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-amino-2-(4-ethylpiperazino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C24H32N4O3S/c1-3-27-11-13-28(14-12-27)19-10-9-16(25)15-18(19)22(29)26-23-21(24(30)31-4-2)17-7-5-6-8-20(17)32-23/h9-10,15H,3-8,11-14,25H2,1-2H3,(H,26,29)