tert-butyl 4-[4-[[4-azanyl-5-(4-pyrrolidin-1-ylphenyl)carbonyl-1,3-thiazol-2-yl]amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[4-azanyl-5-(4-pyrrolidin-1-ylphenyl)carbonyl-1,3-thiazol-2-yl]amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-amino-5-(4-pyrrolidin-1-ylbenzoyl)thiazol-2-yl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[4-amino-5-[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]-2-thiazolyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-amino-5-(4-pyrrolidin-1-ylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-amino-5-(4-pyrrolidinobenzoyl)thiazol-2-yl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H36N6O3S MolecularWeight: 548.69954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC=C(C=C4)N5CCCC5)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC=C(C=C4)N5CCCC5)N

InChI

InChI=1S/C29H36N6O3S/c1-29(2,3)38-28(37)35-18-16-34(17-19-35)23-12-8-21(9-13-23)31-27-32-26(30)25(39-27)24(36)20-6-10-22(11-7-20)33-14-4-5-15-33/h6-13H,4-5,14-19,30H2,1-3H3,(H,31,32)