3-thiophen-2-yl-N-[N'-[3-[1-(triphenylmethyl)imidazol-4-yl]propyl]carbamimidoyl]butanamide

Systemtic Name: 3-thiophen-2-yl-N-[N'-[3-[1-(triphenylmethyl)imidazol-4-yl]propyl]carbamimidoyl]butanamide Openeye Name: 3-(2-thienyl)-N-[N'-[3-(1-tritylimidazol-4-yl)propyl]carbamimidoyl]butanamide CAS Name: N-[amino-[3-[1-(triphenylmethyl)-4-imidazolyl]propylimino]methyl]-3-thiophen-2-ylbutanamide IUPAC Name: 3-thiophen-2-yl-N-[N'-[3-(1-tritylimidazol-4-yl)propyl]carbamimidoyl]butanamide Traditional Name: 3-(2-thienyl)-N-[N'-[3-(1-tritylimidazol-4-yl)propyl]amidino]butyramide Formula: C34H35N5OS MolecularWeight: 561.7396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(=NCCCC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)C5=CC=CS5

Isomeric SMILES

CC(CC(=O)NC(=NCCCC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)C5=CC=CS5

InChI

InChI=1S/C34H35N5OS/c1-26(31-20-12-22-41-31)23-32(40)38-33(35)36-21-11-19-30-24-39(25-37-30)34(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-10,12-18,20,22,24-26H,11,19,21,23H2,1H3,(H3,35,36,38,40)