2-(3-methylbutylamino)-4-(4-nitrophenyl)-N-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-(3-methylbutylamino)-4-(4-nitrophenyl)-N-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 2-(isopentylamino)-4-(4-nitrophenyl)-N-phenyl-thiazole-5-carboxamide CAS Name: 2-(3-methylbutylamino)-4-(4-nitrophenyl)-N-phenyl-5-thiazolecarboxamide IUPAC Name: 2-(3-methylbutylamino)-4-(4-nitrophenyl)-N-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 2-(isoamylamino)-4-(4-nitrophenyl)-N-phenyl-thiazole-5-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(S1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=NC(=C(S1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-14(2)12-13-22-21-24-18(15-8-10-17(11-9-15)25(27)28)19(29-21)20(26)23-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,22,24)(H,23,26)