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

Systemtic Name: N-cycloheptyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-cycloheptyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-cycloheptyl-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-cycloheptyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-cycloheptyl-4-[(4-methylthiazol-2-yl)thio]-3-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)C(=O)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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