N-(2-dimethylaminoethyl)-2-(3-methylbutanoylamino)-N-(phenylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-(3-methylbutanoylamino)-N-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(3-methylbutanoylamino)thiazole-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-2-[(3-methyl-1-oxobutyl)amino]-N-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxamide Traditional Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(isovalerylamino)thiazole-4-carboxamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N(CCN(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N(CCN(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O2S/c1-15(2)12-18(25)22-20-21-17(14-27-20)19(26)24(11-10-23(3)4)13-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3,(H,21,22,25)