ethyl N'-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]thiourea CAS Name: N'-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-[4-(2-hydroxyethyl)piperazino]phenyl]thiourea Formula: C16H25N5OS2 MolecularWeight: 367.5326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5OS2/c1-2-24-15(17)19-16(23)18-13-3-5-14(6-4-13)21-9-7-20(8-10-21)11-12-22/h3-6,22H,2,7-12H2,1H3,(H3,17,18,19,23)