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

Systemtic Name: ethyl N'-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea CAS Name: N'-[[4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-(4-methylpiperazino)phenyl]thiourea Formula: C15H23N5S2 MolecularWeight: 337.50662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5S2/c1-3-22-14(16)18-15(21)17-12-4-6-13(7-5-12)20-10-8-19(2)9-11-20/h4-7H,3,8-11H2,1-2H3,(H3,16,17,18,21)