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

Systemtic Name: N-[2-[(2S)-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-3-nitro-benzamide Openeye Name: N-[2-[(1S)-1-methylpropyl]sulfanyl-1,3-benzothiazol-6-yl]-3-nitro-benzamide CAS Name: N-[2-[[(2S)-butan-2-yl]thio]-1,3-benzothiazol-6-yl]-3-nitrobenzamide IUPAC Name: N-[2-[(2S)-butan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]-3-nitrobenzamide Traditional Name: N-[2-[[(1S)-1-methylpropyl]thio]-1,3-benzothiazol-6-yl]-3-nitro-benzamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-3-11(2)25-18-20-15-8-7-13(10-16(15)26-18)19-17(22)12-5-4-6-14(9-12)21(23)24/h4-11H,3H2,1-2H3,(H,19,22)/t11-/m0/s1