methyl (1E)-2-methyl-N-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)propanimidothioate

Systemtic Name: methyl (1E)-2-methyl-N-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)propanimidothioate Openeye Name: methyl (1E)-2-methyl-N-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)propanimidothioate CAS Name: (1E)-2-methyl-N-[phenylimino(1-pyrrolidinyl)methyl]propanimidothioic acid methyl ester IUPAC Name: methyl (1E)-2-methyl-N-(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)propanimidothioate Traditional Name: (1E)-2-methyl-N-(N-phenyl-C-pyrrolidino-carbonimidoyl)thiopropionimidic acid methyl ester Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=NC(=NC1=CC=CC=C1)N2CCCC2)SC

Isomeric SMILES

CC(C)/C(=N\C(=NC1=CC=CC=C1)N2CCCC2)/SC

InChI

InChI=1S/C16H23N3S/c1-13(2)15(20-3)18-16(19-11-7-8-12-19)17-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3/b17-16?,18-15+