N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-nitro-benzamide Openeye Name: N-(2-isobutylsulfanyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide CAS Name: N-[2-(2-methylpropylthio)-1,3-benzothiazol-6-yl]-3-nitrobenzamide IUPAC Name: N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]-3-nitrobenzamide Traditional Name: N-[2-(isobutylthio)-1,3-benzothiazol-6-yl]-3-nitro-benzamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-11(2)10-25-18-20-15-7-6-13(9-16(15)26-18)19-17(22)12-4-3-5-14(8-12)21(23)24/h3-9,11H,10H2,1-2H3,(H,19,22)