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

Systemtic Name: N-butyl-2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[[(2,6-dimethylanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(2,6-dimethylphenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-6-7-11-22-20(26)17-13-28-18(23-17)12-25(14(2)3)21(27)24-19-15(4)9-8-10-16(19)5/h8-10,13-14H,6-7,11-12H2,1-5H3,(H,22,26)(H,24,27)