ethyl N'-[[4-(2-pyrrolidin-1-ylpropoxy)phenyl]carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-[[4-(2-pyrrolidin-1-ylpropoxy)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-(2-pyrrolidin-1-ylpropoxy)phenyl]thiourea CAS Name: N'-[[4-[2-(1-pyrrolidinyl)propoxy]anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-(2-pyrrolidin-1-ylpropoxy)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-(2-pyrrolidinopropoxy)phenyl]thiourea Formula: C17H26N4OS2 MolecularWeight: 366.54454

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC(=S)NC1=CC=C(C=C1)OCC(C)N2CCCC2)N

Isomeric SMILES

CCS/C(=N/C(=S)NC1=CC=C(C=C1)OCC(C)N2CCCC2)/N

InChI

InChI=1S/C17H26N4OS2/c1-3-24-16(18)20-17(23)19-14-6-8-15(9-7-14)22-12-13(2)21-10-4-5-11-21/h6-9,13H,3-5,10-12H2,1-2H3,(H3,18,19,20,23)