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

Systemtic Name: 2-[[(4-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[isopropyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[[(4-methoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[isopropyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H30N4O3S/c1-5-6-7-12-22-20(26)18-14-29-19(24-18)13-25(15(2)3)21(27)23-16-8-10-17(28-4)11-9-16/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,22,26)(H,23,27)