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

Systemtic Name: ethyl 2-[(2-oxidanylidene-3-phenyl-1-piperidin-4-yl-pentyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-oxo-3-phenyl-1-(4-piperidyl)pentyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[[2-oxo-3-phenyl-1-(4-piperidinyl)pentyl]amino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-oxo-3-phenyl-1-piperidin-4-ylpentyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-keto-3-phenyl-1-(4-piperidyl)pentyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)C(C2CCNCC2)NC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)C(C2CCNCC2)NC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C28H37N3O4S/c1-3-20(18-10-6-5-7-11-18)25(32)24(19-14-16-29-17-15-19)30-28(34)31-26-23(27(33)35-4-2)21-12-8-9-13-22(21)36-26/h5-7,10-11,19-20,24,29H,3-4,8-9,12-17H2,1-2H3,(H2,30,31,34)