[(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] carbamimidothioate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] carbamimidothioate Openeye Name: (2R)-N-(4-benzyloxyphenyl)-2-carbamimidoylsulfanyl-propanamide CAS Name: carbamimidothioic acid [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] carbamimidothioate Traditional Name: (2R)-2-(amidinothio)-N-(4-benzoxyphenyl)propionamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC(=N)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC(=N)N

InChI

InChI=1S/C17H19N3O2S/c1-12(23-17(18)19)16(21)20-14-7-9-15(10-8-14)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,18,19)(H,20,21)/t12-/m1/s1