N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-pentylcyclohexyl)benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-pentylcyclohexyl)benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-pentylcyclohexyl)benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-pentylcyclohexyl)benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(4-pentylcyclohexyl)benzamide Traditional Name: 4-(4-amylcyclohexyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O3S/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24(29)27-25-26-22-15-14-21(28(30)31)16-23(22)32-25/h10-18H,2-9H2,1H3,(H,26,27,29)