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

Systemtic Name: ethyl 2-[(3-chloranyl-2-oxidanylidene-3-phenyl-1-piperidin-4-yl-propyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-chloro-2-oxo-3-phenyl-1-(4-piperidyl)propyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[3-chloro-2-oxo-3-phenyl-1-(4-piperidinyl)propyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-2-oxo-3-phenyl-1-piperidin-4-ylpropyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-chloro-2-keto-3-phenyl-1-(4-piperidyl)propyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H32ClN3O4S MolecularWeight: 518.06798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O4S/c1-2-34-25(32)20-18-10-6-7-11-19(18)35-24(20)30-26(33)29-22(17-12-14-28-15-13-17)23(31)21(27)16-8-4-3-5-9-16/h3-5,8-9,17,21-22,28H,2,6-7,10-15H2,1H3,(H2,29,30,33)