tert-butyl N-[3-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[oxo-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[2-pyrrolidino-2-(2-thienyl)ethyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-22(2,3)28-21(27)24-17-9-6-8-16(14-17)20(26)23-15-18(19-10-7-13-29-19)25-11-4-5-12-25/h6-10,13-14,18H,4-5,11-12,15H2,1-3H3,(H,23,26)(H,24,27)