1-carbamimidoyl-1-[2-(3-chloranylpyridin-2-yl)ethyl]-3-(3-iodanylbutyl)thiourea

Systemtic Name: 1-carbamimidoyl-1-[2-(3-chloranylpyridin-2-yl)ethyl]-3-(3-iodanylbutyl)thiourea Openeye Name: 1-carbamimidoyl-1-[2-(3-chloro-2-pyridyl)ethyl]-3-(3-iodobutyl)thiourea CAS Name: 1-carbamimidoyl-1-[2-(3-chloro-2-pyridinyl)ethyl]-3-(3-iodobutyl)thiourea IUPAC Name: 1-carbamimidoyl-1-[2-(3-chloropyridin-2-yl)ethyl]-3-(3-iodobutyl)thiourea Traditional Name: 1-amidino-1-[2-(3-chloro-2-pyridyl)ethyl]-3-(3-iodobutyl)thiourea Formula: C13H19ClIN5S MolecularWeight: 439.74593

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=S)N(CCC1=C(C=CC=N1)Cl)C(=N)N)I

Isomeric SMILES

CC(CCNC(=S)N(CCC1=C(C=CC=N1)Cl)C(=N)N)I

InChI

InChI=1S/C13H19ClIN5S/c1-9(15)4-7-19-13(21)20(12(16)17)8-5-11-10(14)3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3,(H3,16,17)(H,19,21)