ethyl 2-[[2-(3-bromophenyl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3-bromophenyl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromophenyl)-2-oxo-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(3-bromophenyl)-2-oxo-1-(4-piperidinyl)ethyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromophenyl)-2-oxo-1-piperidin-4-ylethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)-2-keto-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H30BrN3O4S MolecularWeight: 548.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H30BrN3O4S/c1-2-33-24(31)20-18-8-3-4-9-19(18)34-23(20)29-25(32)28-21(15-10-12-27-13-11-15)22(30)16-6-5-7-17(26)14-16/h5-7,14-15,21,27H,2-4,8-13H2,1H3,(H2,28,29,32)