ethyl 4-[[4-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H33ClN4O4S MolecularWeight: 521.07192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=C(C4=C(S3)C=CC(=C4)Cl)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CC3=C(C4=C(S3)C=CC(=C4)Cl)C

InChI

InChI=1S/C25H33ClN4O4S/c1-3-34-24(33)30-12-6-18(7-13-30)28-23(32)25(8-10-27-11-9-25)29-22(31)15-21-16(2)19-14-17(26)4-5-20(19)35-21/h4-5,14,18,27H,3,6-13,15H2,1-2H3,(H,28,32)(H,29,31)