3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c20-15(9-6-11-4-2-1-3-5-11)18-16-17-13-8-7-12(19(21)22)10-14(13)23-16/h7-8,10-11H,1-6,9H2,(H,17,18,20)