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

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-2-methyl-1-[(4-methylthiazol-2-yl)carbamoyl]propyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-[(4-methyl-2-thiazolyl)amino]-1-oxobutan-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-2-methyl-1-[(4-methylthiazol-2-yl)carbamoyl]propyl]-5-nitro-benzamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C(C(C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CSC(=N1)NC(=O)[C@H](C(C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O4S/c1-8(2)13(15(23)20-16-18-9(3)7-26-16)19-14(22)11-6-10(21(24)25)4-5-12(11)17/h4-8,13H,1-3H3,(H,19,22)(H,18,20,23)/t13-/m0/s1