1-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyridin-3-yl-thiourea Openeye Name: 1-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-pyridyl)thiourea CAS Name: 1-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyridin-3-ylthiourea Traditional Name: 1-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-pyridyl)thiourea Formula: C17H21ClN5S+ MolecularWeight: 362.90014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C17H20ClN5S/c1-22-7-9-23(10-8-22)16-5-4-13(18)11-15(16)21-17(24)20-14-3-2-6-19-12-14/h2-6,11-12H,7-10H2,1H3,(H2,20,21,24)/p+1