tert-butyl 4-[[2-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(4-carbamoyl-5-ureido-2-thienyl)phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-carbamoyl-5-ureido-2-thienyl)benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2C3=CC(=C(S3)NC(=O)N)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2C3=CC(=C(S3)NC(=O)N)C(=O)N

InChI

InChI=1S/C22H29N5O4S/c1-22(2,3)31-21(30)27-10-8-26(9-11-27)13-14-6-4-5-7-15(14)17-12-16(18(23)28)19(32-17)25-20(24)29/h4-7,12H,8-11,13H2,1-3H3,(H2,23,28)(H3,24,25,29)