N-(1,3-benzothiazol-2-yl)-4-chloranyl-N-(2-methylpropyl)-3-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-chloranyl-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-chloro-N-isobutyl-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-chloro-N-isobutyl-3-nitro-benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O3S/c1-11(2)10-21(18-20-14-5-3-4-6-16(14)26-18)17(23)12-7-8-13(19)15(9-12)22(24)25/h3-9,11H,10H2,1-2H3