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

Systemtic Name: 3-butyl-1-carbamimidoyl-1-[(3-chloranylpyridin-2-yl)methyl]thiourea Openeye Name: 3-butyl-1-carbamimidoyl-1-[(3-chloro-2-pyridyl)methyl]thiourea CAS Name: 3-butyl-1-carbamimidoyl-1-[(3-chloro-2-pyridinyl)methyl]thiourea IUPAC Name: 3-butyl-1-carbamimidoyl-1-[(3-chloropyridin-2-yl)methyl]thiourea Traditional Name: 1-amidino-3-butyl-1-[(3-chloro-2-pyridyl)methyl]thiourea Formula: C12H18ClN5S MolecularWeight: 299.82282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=C(C=CC=N1)Cl)C(=N)N

Isomeric SMILES

CCCCNC(=S)N(CC1=C(C=CC=N1)Cl)C(=N)N

InChI

InChI=1S/C12H18ClN5S/c1-2-3-6-17-12(19)18(11(14)15)8-10-9(13)5-4-7-16-10/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15)(H,17,19)