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

Systemtic Name: ethyl N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-(4-isopropylpiperazin-1-yl)phenyl]thiourea CAS Name: N'-[[4-(4-propan-2-yl-1-piperazinyl)anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-(4-isopropylpiperazino)phenyl]thiourea Formula: C17H27N5S2 MolecularWeight: 365.55978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5S2/c1-4-24-16(18)20-17(23)19-14-5-7-15(8-6-14)22-11-9-21(10-12-22)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H3,18,19,20,23)