methyl (NE)-N-(dimethylaminomethylidene)-N'-phenyl-carbamimidothioate

Systemtic Name: methyl (NE)-N-(dimethylaminomethylidene)-N'-phenyl-carbamimidothioate Openeye Name: (1E)-1-(dimethylaminomethylene)-2-methyl-3-phenyl-isothiourea CAS Name: (NE)-N-(dimethylaminomethylidene)-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl (NE)-N-(dimethylaminomethylidene)-N'-phenylcarbamimidothioate Traditional Name: (1E)-1-(dimethylaminomethylene)-2-methyl-3-phenyl-isothiourea Formula: C11H15N3S MolecularWeight: 221.3219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)/C=N/C(=NC1=CC=CC=C1)SC

InChI

InChI=1S/C11H15N3S/c1-14(2)9-12-11(15-3)13-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+,13-11?