ethyl N'-[[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]carbamothioyl]carbamimidothioate

Systemtic Name: ethyl N'-[[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]carbamothioyl]carbamimidothioate Openeye Name: (1E)-1-[amino(ethylsulfanyl)methylene]-3-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]thiourea CAS Name: N'-[[4-[(1-methyl-2-pyrrolidinyl)methoxy]anilino]-sulfanylidenemethyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]carbamothioyl]carbamimidothioate Traditional Name: (1E)-1-[amino-(ethylthio)methylene]-3-[4-[(1-methylpyrrolidin-2-yl)methoxy]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)OCC2CCCN2C)N

Isomeric SMILES

CCS/C(=N/C(=S)NC1=CC=C(C=C1)OCC2CCCN2C)/N

InChI

InChI=1S/C16H24N4OS2/c1-3-23-15(17)19-16(22)18-12-6-8-14(9-7-12)21-11-13-5-4-10-20(13)2/h6-9,13H,3-5,10-11H2,1-2H3,(H3,17,18,19,22)