(2Z)-2-[[(4-ethoxyphenyl)carbamothioylamino]methylidene]-N-(2-methylphenyl)-3-oxidanylidene-butanamide

Systemtic Name: (2Z)-2-[[(4-ethoxyphenyl)carbamothioylamino]methylidene]-N-(2-methylphenyl)-3-oxidanylidene-butanamide Openeye Name: (2Z)-2-[[(4-ethoxyphenyl)carbamothioylamino]methylene]-N-(o-tolyl)-3-oxo-butanamide CAS Name: (2Z)-2-[[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]methylidene]-N-(2-methylphenyl)-3-oxobutanamide IUPAC Name: (2Z)-2-[[(4-ethoxyphenyl)carbamothioylamino]methylidene]-N-(2-methylphenyl)-3-oxobutanamide Traditional Name: (Z)-2-acetyl-N-(o-tolyl)-3-(p-phenetylthiocarbamoylamino)acrylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC=C(C(=O)C)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/C=C(/C(=O)C)\C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-17-11-9-16(10-12-17)23-21(28)22-13-18(15(3)25)20(26)24-19-8-6-5-7-14(19)2/h5-13H,4H2,1-3H3,(H,24,26)(H2,22,23,28)/b18-13-