methyl N'-phenyl-N-[(E)-1-phenylethylideneamino]carbamimidothioate

Systemtic Name: methyl N'-phenyl-N-[(E)-1-phenylethylideneamino]carbamimidothioate Openeye Name: 2-methyl-3-phenyl-1-[(E)-1-phenylethylideneamino]isothiourea CAS Name: N'-phenyl-N-[(E)-1-phenylethylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-phenyl-N-[(E)-1-phenylethylideneamino]carbamimidothioate Traditional Name: 2-methyl-3-phenyl-1-[(E)-1-phenylethylideneamino]isothiourea Formula: C16H17N3S MolecularWeight: 283.39128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=NC1=CC=CC=C1)SC)C2=CC=CC=C2

Isomeric SMILES

C/C(=N\NC(=NC1=CC=CC=C1)SC)/C2=CC=CC=C2

InChI

InChI=1S/C16H17N3S/c1-13(14-9-5-3-6-10-14)18-19-16(20-2)17-15-11-7-4-8-12-15/h3-12H,1-2H3,(H,17,19)/b18-13+