N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-phenyl-butanamide

Systemtic Name: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-phenyl-butanamide Openeye Name: N-isopentyl-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-2-phenyl-butanamide CAS Name: N-(3-methylbutyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-2-phenylbutanamide IUPAC Name: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-phenylbutanamide Traditional Name: N-isoamyl-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-2-phenyl-butyramide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC(=CS2)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC(=CS2)C

InChI

InChI=1S/C21H29N3O2S/c1-5-18(17-9-7-6-8-10-17)20(26)24(12-11-15(2)3)13-19(25)23-21-22-16(4)14-27-21/h6-10,14-15,18H,5,11-13H2,1-4H3,(H,22,23,25)