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

Systemtic Name: ethyl N'-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (3E)-1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-[amino(ethylsulfanyl)methylene]thiourea CAS Name: N'-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (3E)-1-[4-(4-acetylpiperazino)phenyl]-3-[amino-(ethylthio)methylene]thiourea Formula: C16H23N5OS2 MolecularWeight: 365.51672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5OS2/c1-3-24-15(17)19-16(23)18-13-4-6-14(7-5-13)21-10-8-20(9-11-21)12(2)22/h4-7H,3,8-11H2,1-2H3,(H3,17,18,19,23)