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

Systemtic Name: 2-[[(4-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide Openeye Name: N-isopentyl-2-[[isopropyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide CAS Name: 2-[[[(4-methoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-(3-methylbutyl)-4-thiazolecarboxamide IUPAC Name: 2-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide Traditional Name: N-isoamyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-14(2)10-11-22-20(26)18-13-29-19(24-18)12-25(15(3)4)21(27)23-16-6-8-17(28-5)9-7-16/h6-9,13-15H,10-12H2,1-5H3,(H,22,26)(H,23,27)