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

Systemtic Name: N-butyl-2-[[butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[(4-nitroanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-3-5-11-21-19(26)17-14-30-18(23-17)13-24(12-6-4-2)20(27)22-15-7-9-16(10-8-15)25(28)29/h7-10,14H,3-6,11-13H2,1-2H3,(H,21,26)(H,22,27)