1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]-3-prop-2-ynyl-thiourea

Systemtic Name: 1-carbamimidoyl-1-[3-(3-chloranylpyridin-2-yl)propyl]-3-prop-2-ynyl-thiourea Openeye Name: 1-carbamimidoyl-1-[3-(3-chloro-2-pyridyl)propyl]-3-prop-2-ynyl-thiourea CAS Name: 1-carbamimidoyl-1-[3-(3-chloro-2-pyridinyl)propyl]-3-prop-2-ynylthiourea IUPAC Name: 1-carbamimidoyl-1-[3-(3-chloropyridin-2-yl)propyl]-3-prop-2-ynylthiourea Traditional Name: 1-amidino-1-[3-(3-chloro-2-pyridyl)propyl]-3-propargyl-thiourea Formula: C13H16ClN5S MolecularWeight: 309.81764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=S)N(CCCC1=C(C=CC=N1)Cl)C(=N)N

Isomeric SMILES

C#CCNC(=S)N(CCCC1=C(C=CC=N1)Cl)C(=N)N

InChI

InChI=1S/C13H16ClN5S/c1-2-7-18-13(20)19(12(15)16)9-4-6-11-10(14)5-3-8-17-11/h1,3,5,8H,4,6-7,9H2,(H3,15,16)(H,18,20)