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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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