N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[4-[(1S)-1-methylpropyl]phenyl]thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-2-thiazolyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[4-[(1S)-1-methylpropyl]phenyl]thiazol-2-yl]-3-nitro-benzamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O3S/c1-3-12(2)13-4-6-14(7-5-13)17-11-28-20(22-17)23-19(25)15-8-9-16(21)18(10-15)24(26)27/h4-12H,3H2,1-2H3,(H,22,23,25)/t12-/m0/s1