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

Systemtic Name: 3-tert-butyl-1-carbamimidoyl-1-[2-(3-chloranylpyridin-2-yl)ethyl]thiourea Openeye Name: 3-tert-butyl-1-carbamimidoyl-1-[2-(3-chloro-2-pyridyl)ethyl]thiourea CAS Name: 3-tert-butyl-1-carbamimidoyl-1-[2-(3-chloro-2-pyridinyl)ethyl]thiourea IUPAC Name: 3-tert-butyl-1-carbamimidoyl-1-[2-(3-chloropyridin-2-yl)ethyl]thiourea Traditional Name: 1-amidino-3-tert-butyl-1-[2-(3-chloro-2-pyridyl)ethyl]thiourea Formula: C13H20ClN5S MolecularWeight: 313.8494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)N(CCC1=C(C=CC=N1)Cl)C(=N)N

Isomeric SMILES

CC(C)(C)NC(=S)N(CCC1=C(C=CC=N1)Cl)C(=N)N

InChI

InChI=1S/C13H20ClN5S/c1-13(2,3)18-12(20)19(11(15)16)8-6-10-9(14)5-4-7-17-10/h4-5,7H,6,8H2,1-3H3,(H3,15,16)(H,18,20)