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

Systemtic Name: 1-carbamimidoyl-1-[(3-chloranylpyridin-2-yl)methyl]-3-(2-phenethyloxyethyl)thiourea Openeye Name: 1-carbamimidoyl-1-[(3-chloro-2-pyridyl)methyl]-3-(2-phenethyloxyethyl)thiourea CAS Name: 1-carbamimidoyl-1-[(3-chloro-2-pyridinyl)methyl]-3-(2-phenethyloxyethyl)thiourea IUPAC Name: 1-carbamimidoyl-1-[(3-chloropyridin-2-yl)methyl]-3-(2-phenethyloxyethyl)thiourea Traditional Name: 1-amidino-1-[(3-chloro-2-pyridyl)methyl]-3-(2-phenethyloxyethyl)thiourea Formula: C18H22ClN5OS MolecularWeight: 391.91818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCNC(=S)N(CC2=C(C=CC=N2)Cl)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCOCCNC(=S)N(CC2=C(C=CC=N2)Cl)C(=N)N

InChI

InChI=1S/C18H22ClN5OS/c19-15-7-4-9-22-16(15)13-24(17(20)21)18(26)23-10-12-25-11-8-14-5-2-1-3-6-14/h1-7,9H,8,10-13H2,(H3,20,21)(H,23,26)