tert-butyl N-[1-[2-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]pyrrolidin-3-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[1-[2-[4-aminocarbonyl-5-(aminocarbonylamino)thiophen-2-yl]phenyl]pyrrolidin-3-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[1-[2-(4-carbamoyl-5-ureido-2-thienyl)phenyl]pyrrolidin-3-yl]-N-methyl-carbamate CAS Name: N-[1-[2-[4-carbamoyl-5-(carbamoylamino)-2-thiophenyl]phenyl]-3-pyrrolidinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]pyrrolidin-3-yl]-N-methylcarbamate Traditional Name: N-[1-[2-(4-carbamoyl-5-ureido-2-thienyl)phenyl]pyrrolidin-3-yl]-N-methyl-carbamic acid tert-butyl ester Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1CCN(C1)C2=CC=CC=C2C3=CC(=C(S3)NC(=O)N)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1CCN(C1)C2=CC=CC=C2C3=CC(=C(S3)NC(=O)N)C(=O)N

InChI

InChI=1S/C22H29N5O4S/c1-22(2,3)31-21(30)26(4)13-9-10-27(12-13)16-8-6-5-7-14(16)17-11-15(18(23)28)19(32-17)25-20(24)29/h5-8,11,13H,9-10,12H2,1-4H3,(H2,23,28)(H3,24,25,29)