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

Systemtic Name: N-butyl-2-[[butyl-[(3-chloranyl-4-methyl-phenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-[(3-chloro-4-methyl-phenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[(3-chloro-4-methylanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-[(3-chloro-4-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[(3-chloro-4-methyl-phenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide Formula: C21H29ClN4O2S MolecularWeight: 436.99856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C21H29ClN4O2S/c1-4-6-10-23-20(27)18-14-29-19(25-18)13-26(11-7-5-2)21(28)24-16-9-8-15(3)17(22)12-16/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,23,27)(H,24,28)