ethyl N'-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]thiourea CAS Name: N'-[[3-fluoro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[3-fluoro-4-(4-methylpiperazino)phenyl]thiourea Formula: C15H22FN5S2 MolecularWeight: 355.497083

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C)F)N

Isomeric SMILES

CCS/C(=N/C(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C)F)/N

InChI

InChI=1S/C15H22FN5S2/c1-3-23-14(17)19-15(22)18-11-4-5-13(12(16)10-11)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H3,17,18,19,22)