N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[4-(isovalerylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H23N3O3S/c1-15(2)13-21(27)24-17-8-10-18(11-9-17)25-22(28)16-5-3-6-19(14-16)26-23(29)20-7-4-12-30-20/h3-12,14-15H,13H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)