2-[[(2S)-butan-2-yl]amino]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[[(2S)-butan-2-yl]amino]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazole-5-carboxamide Openeye Name: 2-[[(1S)-1-methylpropyl]amino]-4-(4-nitrophenyl)-N-phenyl-thiazole-5-carboxamide CAS Name: 2-[[(2S)-butan-2-yl]amino]-4-(4-nitrophenyl)-N-phenyl-5-thiazolecarboxamide IUPAC Name: 2-[[(2S)-butan-2-yl]amino]-4-(4-nitrophenyl)-N-phenyl-1,3-thiazole-5-carboxamide Traditional Name: 2-[[(1S)-1-methylpropyl]amino]-4-(4-nitrophenyl)-N-phenyl-thiazole-5-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=C(S1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC1=NC(=C(S1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-3-13(2)21-20-23-17(14-9-11-16(12-10-14)24(26)27)18(28-20)19(25)22-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,21,23)(H,22,25)/t13-/m0/s1