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

Systemtic Name: tert-butyl 4-[2-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-carbamoyl-5-ureido-2-thienyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-carbamoyl-5-ureido-2-thienyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C3=CC(=C(S3)NC(=O)N)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C3=CC(=C(S3)NC(=O)N)C(=O)N

InChI

InChI=1S/C21H27N5O4S/c1-21(2,3)30-20(29)26-10-8-25(9-11-26)15-7-5-4-6-13(15)16-12-14(17(22)27)18(31-16)24-19(23)28/h4-7,12H,8-11H2,1-3H3,(H2,22,27)(H3,23,24,28)