N-[2-[(3-methoxy-2-oxidanylidene-azetidin-3-yl)amino]-2-oxidanylidene-1-thiophen-2-yl-ethyl]-2,3-bis(oxidanylidene)-N-piperidin-4-ylcarbonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-[(3-methoxy-2-oxidanylidene-azetidin-3-yl)amino]-2-oxidanylidene-1-thiophen-2-yl-ethyl]-2,3-bis(oxidanylidene)-N-piperidin-4-ylcarbonyl-piperazine-1-carboxamide Openeye Name: N-[2-[(3-methoxy-2-oxo-azetidin-3-yl)amino]-2-oxo-1-(2-thienyl)ethyl]-2,3-dioxo-N-(piperidine-4-carbonyl)piperazine-1-carboxamide CAS Name: N-[2-[(3-methoxy-2-oxo-3-azetidinyl)amino]-2-oxo-1-thiophen-2-ylethyl]-2,3-dioxo-N-[oxo(4-piperidinyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[2-[(3-methoxy-2-oxoazetidin-3-yl)amino]-2-oxo-1-thiophen-2-ylethyl]-2,3-dioxo-N-(piperidine-4-carbonyl)piperazine-1-carboxamide Traditional Name: N-isonipecotoyl-2,3-diketo-N-[2-keto-2-[(2-keto-3-methoxy-azetidin-3-yl)amino]-1-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C21H26N6O7S MolecularWeight: 506.53214

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CNC1=O)NC(=O)C(C2=CC=CS2)N(C(=O)C3CCNCC3)C(=O)N4CCNC(=O)C4=O

Isomeric SMILES

COC1(CNC1=O)NC(=O)C(C2=CC=CS2)N(C(=O)C3CCNCC3)C(=O)N4CCNC(=O)C4=O

InChI

InChI=1S/C21H26N6O7S/c1-34-21(11-24-19(21)32)25-15(28)14(13-3-2-10-35-13)27(17(30)12-4-6-22-7-5-12)20(33)26-9-8-23-16(29)18(26)31/h2-3,10,12,14,22H,4-9,11H2,1H3,(H,23,29)(H,24,32)(H,25,28)