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

Systemtic Name: 1-carbamimidoyl-1-[3-(3-methylpyridin-2-yl)propyl]-3-(2-phenethyloxyethyl)thiourea Openeye Name: 1-carbamimidoyl-1-[3-(3-methyl-2-pyridyl)propyl]-3-(2-phenethyloxyethyl)thiourea CAS Name: 1-carbamimidoyl-1-[3-(3-methyl-2-pyridinyl)propyl]-3-(2-phenethyloxyethyl)thiourea IUPAC Name: 1-carbamimidoyl-1-[3-(3-methylpyridin-2-yl)propyl]-3-(2-phenethyloxyethyl)thiourea Traditional Name: 1-amidino-1-[3-(3-methyl-2-pyridyl)propyl]-3-(2-phenethyloxyethyl)thiourea Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CCCN(C(=N)N)C(=S)NCCOCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(N=CC=C1)CCCN(C(=N)N)C(=S)NCCOCCC2=CC=CC=C2

InChI

InChI=1S/C21H29N5OS/c1-17-7-5-12-24-19(17)10-6-14-26(20(22)23)21(28)25-13-16-27-15-11-18-8-3-2-4-9-18/h2-5,7-9,12H,6,10-11,13-16H2,1H3,(H3,22,23)(H,25,28)