N-[4-[[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[oxo-[[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)NCC2=CC=C(C=C2)NC(=O)C3CC3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)[C@@H](CNC(=O)NCC2=CC=C(C=C2)NC(=O)C3CC3)C4=CC=CS4

InChI

InChI=1S/C22H28N4O2S/c27-21(17-7-8-17)25-18-9-5-16(6-10-18)14-23-22(28)24-15-19(20-4-3-13-29-20)26-11-1-2-12-26/h3-6,9-10,13,17,19H,1-2,7-8,11-12,14-15H2,(H,25,27)(H2,23,24,28)/t19-/m0/s1