N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide

Systemtic Name: N-(2-azanyl-5-thiophen-2-yl-phenyl)-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide Openeye Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide CAS Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methyl]benzamide IUPAC Name: N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzamide Traditional Name: N-[2-amino-5-(2-thienyl)phenyl]-4-[[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methyl]benzamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2CC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2CC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N

InChI

InChI=1S/C27H32N4OS/c28-24-12-11-22(26-6-4-16-33-26)17-25(24)29-27(32)21-9-7-20(8-10-21)18-31-15-3-5-23(31)19-30-13-1-2-14-30/h4,6-12,16-17,23H,1-3,5,13-15,18-19,28H2,(H,29,32)/t23-/m0/s1