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

Systemtic Name: ethyl N'-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiourea CAS Name: N'-[[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-(2-pyrrolidinoethoxy)phenyl]thiourea Formula: C16H24N4OS2 MolecularWeight: 352.51796

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC(=S)NC1=CC=C(C=C1)OCCN2CCCC2)N

Isomeric SMILES

CCS/C(=N/C(=S)NC1=CC=C(C=C1)OCCN2CCCC2)/N

InChI

InChI=1S/C16H24N4OS2/c1-2-23-15(17)19-16(22)18-13-5-7-14(8-6-13)21-12-11-20-9-3-4-10-20/h5-8H,2-4,9-12H2,1H3,(H3,17,18,19,22)