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

Systemtic Name: ethyl N'-[[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-(4-isobutylpiperazin-1-yl)phenyl]thiourea CAS Name: N'-[[4-[4-(2-methylpropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-(4-isobutylpiperazino)phenyl]thiourea Formula: C18H29N5S2 MolecularWeight: 379.58636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5S2/c1-4-25-17(19)21-18(24)20-15-5-7-16(8-6-15)23-11-9-22(10-12-23)13-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H3,19,20,21,24)