N-[(E)-[4-oxidanylidene-4-(3-phenylpropylamino)butan-2-ylidene]amino]thiophene-2-carboxamide

Systemtic Name: N-[(E)-[4-oxidanylidene-4-(3-phenylpropylamino)butan-2-ylidene]amino]thiophene-2-carboxamide Openeye Name: N-[(E)-[1-methyl-3-oxo-3-(3-phenylpropylamino)propylidene]amino]thiophene-2-carboxamide CAS Name: N-[(E)-[4-oxo-4-(3-phenylpropylamino)butan-2-ylidene]amino]-2-thiophenecarboxamide IUPAC Name: N-[(E)-[4-oxo-4-(3-phenylpropylamino)butan-2-ylidene]amino]thiophene-2-carboxamide Traditional Name: N-[(E)-[3-keto-1-methyl-3-(3-phenylpropylamino)propylidene]amino]thiophene-2-carboxamide Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CS1)CC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CS1)/CC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-14(20-21-18(23)16-10-6-12-24-16)13-17(22)19-11-5-9-15-7-3-2-4-8-15/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H,19,22)(H,21,23)/b20-14+