N-[4-(3-methylbutanoylamino)phenyl]-5-morpholin-4-yl-4-phenyl-thiophene-2-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-5-morpholin-4-yl-4-phenyl-thiophene-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-5-morpholino-4-phenyl-thiophene-2-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-5-morpholino-4-phenyl-thiophene-2-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-18(2)16-24(30)27-20-8-10-21(11-9-20)28-25(31)23-17-22(19-6-4-3-5-7-19)26(33-23)29-12-14-32-15-13-29/h3-11,17-18H,12-16H2,1-2H3,(H,27,30)(H,28,31)