N-[[3-(aminomethyl)phenyl]methyl]-1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-phenylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(1-oxo-3-phenylpropyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-hydrocinnamoyl-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)CCC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(N1C(=O)CCC2=CC=CC=C2)C(=O)NCC3=CC=CC(=C3)CN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H28N4O4S2/c26-17-20-8-4-9-21(16-20)18-27-24(31)25-28(22(30)12-11-19-6-2-1-3-7-19)13-14-29(25)35(32,33)23-10-5-15-34-23/h1-10,15-16,25H,11-14,17-18,26H2,(H,27,31)