ethyl N'-[[4-(4-butan-2-ylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-[[4-(4-butan-2-ylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1Z)-1-[amino(ethylsulfanyl)methylene]-3-[4-(4-sec-butylpiperazin-1-yl)phenyl]thiourea CAS Name: N'-[[4-(4-butan-2-yl-1-piperazinyl)anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-(4-butan-2-ylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1Z)-1-[amino-(ethylthio)methylene]-3-[4-(4-sec-butylpiperazino)phenyl]thiourea Formula: C18H29N5S2 MolecularWeight: 379.58636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)N=C(N)SCC

Isomeric SMILES

CCC(C)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)/N=C(/N)\SCC

InChI

InChI=1S/C18H29N5S2/c1-4-14(3)22-10-12-23(13-11-22)16-8-6-15(7-9-16)20-18(24)21-17(19)25-5-2/h6-9,14H,4-5,10-13H2,1-3H3,(H3,19,20,21,24)