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

Systemtic Name: ethyl 2-[(2-naphthalen-2-yl-2-oxidanylidene-1-piperidin-4-yl-ethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-naphthyl)-2-oxo-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(2-naphthalenyl)-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-naphthalen-2-yl-2-oxo-1-piperidin-4-ylethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-keto-2-(2-naphthyl)-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H33N3O4S/c1-2-36-28(34)24-22-9-5-6-10-23(22)37-27(24)32-29(35)31-25(19-13-15-30-16-14-19)26(33)21-12-11-18-7-3-4-8-20(18)17-21/h3-4,7-8,11-12,17,19,25,30H,2,5-6,9-10,13-16H2,1H3,(H2,31,32,35)