tert-butyl N-[2-[4-[(E)-3-carbamimidoylsulfanylprop-1-enyl]phenoxy]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-[(E)-3-carbamimidoylsulfanylprop-1-enyl]phenoxy]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-[(E)-3-carbamimidoylsulfanylprop-1-enyl]phenoxy]ethyl]carbamate CAS Name: N-[2-[4-[(E)-3-(carbamimidoylthio)prop-1-enyl]phenoxy]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[(E)-3-carbamimidoylsulfanylprop-1-enyl]phenoxy]ethyl]carbamate Traditional Name: N-[2-[4-[(E)-3-(amidinothio)prop-1-enyl]phenoxy]ethyl]carbamic acid tert-butyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)C=CCSC(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)/C=C/CSC(=N)N

InChI

InChI=1S/C17H25N3O3S/c1-17(2,3)23-16(21)20-10-11-22-14-8-6-13(7-9-14)5-4-12-24-15(18)19/h4-9H,10-12H2,1-3H3,(H3,18,19)(H,20,21)/b5-4+