tert-butyl 4-(3-benzamidothiophen-2-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-benzamidothiophen-2-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-benzamidothiophene-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(3-benzamido-2-thiophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-benzamidothiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-benzamidothiophene-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CS2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CS2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)28-20(27)24-12-10-23(11-13-24)19(26)17-16(9-14-29-17)22-18(25)15-7-5-4-6-8-15/h4-9,14H,10-13H2,1-3H3,(H,22,25)