tert-butyl 4-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-morpholin-4-yl-4-phenyl-thiophen-2-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-morpholino-4-phenyl-thiophene-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[5-(4-morpholinyl)-4-phenyl-2-thiophenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-morpholino-4-phenyl-thiophene-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c1-24(2,3)31-23(29)27-11-9-25(10-12-27)21(28)20-17-19(18-7-5-4-6-8-18)22(32-20)26-13-15-30-16-14-26/h4-8,17H,9-16H2,1-3H3