methyl N-[(2-aminophenyl)methylidene]-N'-(4-oxidanylidenepent-2-en-2-ylamino)carbamimidothioate

Systemtic Name: methyl N-[(2-aminophenyl)methylidene]-N'-(4-oxidanylidenepent-2-en-2-ylamino)carbamimidothioate Openeye Name: 1-[(2-aminophenyl)methylene]-2-methyl-3-[(1-methyl-3-oxo-but-1-enyl)amino]isothiourea CAS Name: N-[(2-aminophenyl)methylidene]-N'-(4-oxopent-2-en-2-ylamino)carbamimidothioic acid methyl ester IUPAC Name: methyl N-[(2-aminophenyl)methylidene]-N'-(4-oxopent-2-en-2-ylamino)carbamimidothioate Traditional Name: 1-(2-aminobenzylidene)-3-[(3-keto-1-methyl-but-1-enyl)amino]-2-methyl-isothiourea Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NN=C(N=CC1=CC=CC=C1N)SC

Isomeric SMILES

CC(=CC(=O)C)NN=C(N=CC1=CC=CC=C1N)SC

InChI

InChI=1S/C14H18N4OS/c1-10(8-11(2)19)17-18-14(20-3)16-9-12-6-4-5-7-13(12)15/h4-9,17H,15H2,1-3H3