N-[4-(4-aminophenyl)carbonylphenyl]-2-(1-azanylbutyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-(4-aminophenyl)carbonylphenyl]-2-(1-azanylbutyl)-1,3-thiazole-4-carboxamide Openeye Name: N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)thiazole-4-carboxamide CAS Name: 2-(1-aminobutyl)-N-[4-[(4-aminophenyl)-oxomethyl]phenyl]-4-thiazolecarboxamide IUPAC Name: N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)thiazole-4-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=CS1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)N)N

Isomeric SMILES

CCCC(C1=NC(=CS1)C(=O)NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)N)N

InChI

InChI=1S/C21H22N4O2S/c1-2-3-17(23)21-25-18(12-28-21)20(27)24-16-10-6-14(7-11-16)19(26)13-4-8-15(22)9-5-13/h4-12,17H,2-3,22-23H2,1H3,(H,24,27)