tert-butyl 3-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazo]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C20H29N3O4S/c1-20(2,3)27-19(26)23-10-6-8-14(12-23)17(24)21-22-18(25)16-11-13-7-4-5-9-15(13)28-16/h11,14H,4-10,12H2,1-3H3,(H,21,24)(H,22,25)