1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]-3-(2-phenethyloxyethyl)thiourea

Systemtic Name: 1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]-3-(2-phenethyloxyethyl)thiourea Openeye Name: 1-carbamimidoyl-1-[3-(3-chloro-2-pyridyl)propyl]-3-(2-phenethyloxyethyl)thiourea CAS Name: 1-carbamimidoyl-1-[3-(3-chloro-2-pyridinyl)propyl]-3-(2-phenethyloxyethyl)thiourea IUPAC Name: 1-carbamimidoyl-1-[3-(3-chloropyridin-2-yl)propyl]-3-(2-phenethyloxyethyl)thiourea Traditional Name: 1-amidino-1-[3-(3-chloro-2-pyridyl)propyl]-3-(2-phenethyloxyethyl)thiourea Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCNC(=S)N(CCCC2=C(C=CC=N2)Cl)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCOCCNC(=S)N(CCCC2=C(C=CC=N2)Cl)C(=N)N

InChI

InChI=1S/C20H26ClN5OS/c21-17-8-4-11-24-18(17)9-5-13-26(19(22)23)20(28)25-12-15-27-14-10-16-6-2-1-3-7-16/h1-4,6-8,11H,5,9-10,12-15H2,(H3,22,23)(H,25,28)