3-iodanyl-N-[(E)-[4-oxidanylidene-4-(propylamino)butan-2-ylidene]amino]benzamide

Systemtic Name: 3-iodanyl-N-[(E)-[4-oxidanylidene-4-(propylamino)butan-2-ylidene]amino]benzamide Openeye Name: 3-iodo-N-[(E)-[1-methyl-3-oxo-3-(propylamino)propylidene]amino]benzamide CAS Name: 3-iodo-N-[(E)-[4-oxo-4-(propylamino)butan-2-ylidene]amino]benzamide IUPAC Name: 3-iodo-N-[(E)-[4-oxo-4-(propylamino)butan-2-ylidene]amino]benzamide Traditional Name: 3-iodo-N-[(E)-[3-keto-1-methyl-3-(propylamino)propylidene]amino]benzamide Formula: C14H18IN3O2 MolecularWeight: 387.21609

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CC(=NNC(=O)C1=CC(=CC=C1)I)C

Isomeric SMILES

CCCNC(=O)C/C(=N/NC(=O)C1=CC(=CC=C1)I)/C

InChI

InChI=1S/C14H18IN3O2/c1-3-7-16-13(19)8-10(2)17-18-14(20)11-5-4-6-12(15)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,16,19)(H,18,20)/b17-10+