ethanedioic acid; 3-methyl-N-[4-(2-phenylazanyl-1,3-thiazol-4-yl)phenyl]butanamide

Systemtic Name: ethanedioic acid; 3-methyl-N-[4-(2-phenylazanyl-1,3-thiazol-4-yl)phenyl]butanamide Openeye Name: N-[4-(2-anilinothiazol-4-yl)phenyl]-3-methyl-butanamide; oxalic acid CAS Name: N-[4-(2-anilino-4-thiazolyl)phenyl]-3-methylbutanamide; oxalic acid IUPAC Name: N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-methylbutanamide; oxalic acid Traditional Name: N-[4-(2-anilinothiazol-4-yl)phenyl]-3-methyl-butyramide; oxalic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H21N3OS.C2H2O4/c1-14(2)12-19(24)21-17-10-8-15(9-11-17)18-13-25-20(23-18)22-16-6-4-3-5-7-16;3-1(4)2(5)6/h3-11,13-14H,12H2,1-2H3,(H,21,24)(H,22,23);(H,3,4)(H,5,6)