N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S2/c1-3-8(2)15-13(20)17-12(19)7-23-14-16-10-5-4-9(18(21)22)6-11(10)24-14/h4-6,8H,3,7H2,1-2H3,(H2,15,17,19,20)/t8-/m0/s1