4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(5-isopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[(5-isopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C17H20ClN5O4S MolecularWeight: 425.8898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O4S/c1-8(2)13(15(25)20-17-22-21-16(28-17)9(3)4)19-14(24)10-5-6-11(18)12(7-10)23(26)27/h5-9,13H,1-4H3,(H,19,24)(H,20,22,25)/t13-/m0/s1