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

Systemtic Name: N-butyl-2-[[butyl-[(3-cyanophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-[(3-cyanophenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[(3-cyanoanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-[(3-cyanophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[(3-cyanophenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-3-5-10-23-20(27)18-15-29-19(25-18)14-26(11-6-4-2)21(28)24-17-9-7-8-16(12-17)13-22/h7-9,12,15H,3-6,10-11,14H2,1-2H3,(H,23,27)(H,24,28)