N-butyl-2-[[butyl-[(phenylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[butyl-[(phenylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[benzylcarbamoyl(butyl)amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: 2-[[benzylcarbamoyl(butyl)amino]methyl]-N-butyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[benzylcarbamoyl(butyl)amino]methyl]-N-butyl-thiazole-4-carboxamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H30N4O2S/c1-3-5-12-22-20(26)18-16-28-19(24-18)15-25(13-6-4-2)21(27)23-14-17-10-8-7-9-11-17/h7-11,16H,3-6,12-15H2,1-2H3,(H,22,26)(H,23,27)