N-cycloheptyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-cycloheptyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-cycloheptyl-2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzamide CAS Name: N-cycloheptyl-2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzamide IUPAC Name: N-cycloheptyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzamide Traditional Name: N-cycloheptyl-2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3CCCCCC3

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3CCCCCC3

InChI

InChI=1S/C18H21N3O3S2/c1-12-11-25-18(19-12)26-16-9-8-14(21(23)24)10-15(16)17(22)20-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,20,22)