2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[[(2,6-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H32N4O2S/c1-6-7-8-12-23-21(27)18-14-29-19(24-18)13-26(15(2)3)22(28)25-20-16(4)10-9-11-17(20)5/h9-11,14-15H,6-8,12-13H2,1-5H3,(H,23,27)(H,25,28)