[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] N,N'-bis(2-methoxyphenyl)carbamimidothioate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] N,N'-bis(2-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(E)-4-amino-3-cyano-2-oxo-pent-3-enyl]-1,3-bis(2-methoxyphenyl)isothiourea CAS Name: N,N'-bis(2-methoxyphenyl)carbamimidothioic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] N,N'-bis(2-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(E)-4-amino-3-cyano-2-keto-pent-3-enyl]-1,3-bis(2-methoxyphenyl)isothiourea Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC(=NC1=CC=CC=C1OC)NC2=CC=CC=C2OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC(=NC1=CC=CC=C1OC)NC2=CC=CC=C2OC)/N

InChI

InChI=1S/C21H22N4O3S/c1-14(23)15(12-22)18(26)13-29-21(24-16-8-4-6-10-19(16)27-2)25-17-9-5-7-11-20(17)28-3/h4-11H,13,23H2,1-3H3,(H,24,25)/b15-14+