N-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexyl-4-oxidanylidene-5-pyrrolidin-1-ylcarbonyl-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexyl-4-oxidanylidene-5-pyrrolidin-1-ylcarbonyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexyl-4-oxo-5-[oxo(1-pyrrolidinyl)methyl]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexyl-4-keto-5-(pyrrolidine-1-carbonyl)nicotinamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(C(=O)C(=C2)C(=O)N3CCCC3)C(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)N2C=C(C(=O)C(=C2)C(=O)N3CCCC3)C(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H28N4O3S/c30-23-18(24(31)26-14-22-27-20-10-4-5-11-21(20)33-22)15-29(17-8-2-1-3-9-17)16-19(23)25(32)28-12-6-7-13-28/h4-5,10-11,15-17H,1-3,6-9,12-14H2,(H,26,31)