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

Systemtic Name: ethyl N'-[[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]thiourea CAS Name: N'-[[4-[4-(2-methoxyethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-[4-(2-methoxyethyl)piperazino]phenyl]thiourea Formula: C17H27N5OS2 MolecularWeight: 381.55918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5OS2/c1-3-25-16(18)20-17(24)19-14-4-6-15(7-5-14)22-10-8-21(9-11-22)12-13-23-2/h4-7H,3,8-13H2,1-2H3,(H3,18,19,20,24)